SCHEMBL6045102

SCHEMBL6045102

C=C1C(=O)OCC1c1ccccc1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CYP19A1 P11511 3/20 0.33
CTSB P07858 1/20 0.33
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.32
TOP2A P11388 1/20 0.31
CTSG P08311 2/20 0.31
KLK7 P49862 2/20 0.31
KLK14 Q9P0G3 2/20 0.31
KLK5 Q9Y337 2/20 0.31
PRSS1 P07477 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
CTRC Q99895 1/20 0.30
LOX P28300 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MT-CO2 P00403 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6045098 0.75 PTGS1 (0.32) BRD4CREBBPHSD11B1LMNACTSG
SCHEMBL28333843 0.72 CTSB (0.42) CTSBHSD11B1LMNAKDM4EPTGS2
SCHEMBL23914271 0.70 CYP19A1 (0.51) CYP19A1CTRC
SCHEMBL30674005 0.70 CYP19A1 (0.51) CYP19A1CTRC
SCHEMBL23162797 0.68 HSD11B1 (0.48) HSD11B1LMNAPTGS2
SCHEMBL14472622 0.65 LMNA (0.37) BRD4CREBBPHSD11B1LMNAPTGS2
SCHEMBL10180103 0.65 PTGS2 (0.55) HSD11B1LMNAPTGS2ALDH1A1
SCHEMBL8770429 0.64 LOX (0.37) HSD11B1LMNALOX
SCHEMBL10192344 0.64 PTGS2 (0.58) HSD11B1LMNAKDM4EPTGS2ALDH1A1
SCHEMBL10856385 0.64 SMN1; SMN2 (0.52) BRD4CREBBPLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 US disclosed
US-20050159419-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a central nervous system stimulant for the treatment of central nervous system damage PHARMACIA CORPORATION (US) 2005-07-21 US disclosed
US-20050159403-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-07-21 US disclosed
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-06-16 US disclosed
US-20050107387-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a peroxisome proliferator activated receptor agonist for the treatment of ischemic mediated central nervous system disorders PHARMACIA CORPORATION (US) 2005-05-19 US disclosed
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-05-12 US disclosed
US-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US disclosed
US-20050070524-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an anticonvulsant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-31 US disclosed
US-20050065154-A1 Treatment of migraine accompanied by nausea with a combination of cyclooxygenase-2 selective inhibitors and anti-nausea agents PHARMACIA CORPORATION 2005-03-24 US disclosed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US disclosed
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system PHARMACIA CORPORATION 2005-02-03 US disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 BRD4 3602/4885CREBBP 2520/4885CYP19A1 2495/4885
US-20050107387-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a peroxisome proliferator activated receptor agonist for the treatment of ischemic mediated central nervous system disorders PPARA, PPARG, PTGER2 BRD4 1888/4885CREBBP 1108/4885CYP19A1 1765/4885
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 BRD4 2429/4885CREBBP 2320/4885CYP19A1 3381/4885
US-20050159419-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a central nervous system stimulant for the treatment of central nervous system damage GAP43, PTGS2, CNR2 BRD4 2443/4885CREBBP 604/4885CYP19A1 1640/4885
US-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury CRH, CRHR2, CRHR1 BRD4 4630/4885CREBBP 1352/4885CYP19A1 1694/4885
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 BRD4 1438/4885CREBBP 839/4885CYP19A1 2143/4885
US-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PTGS2, PTGS1, PTGER2 BRD4 4049/4885CREBBP 3724/4885CYP19A1 4272/4885
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage GRIN1, GRIN2A, GRIN2B BRD4 3606/4885CREBBP 2760/4885CYP19A1 3778/4885
US-20050070524-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an anticonvulsant agent for the treatment of central nervous system disorders PTGS2, PTGER2, PTGES2 BRD4 2606/4885CREBBP 2279/4885CYP19A1 938/4885
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system ACHE, PTGER2, PTGS2 BRD4 2259/4885CREBBP 2946/4885CYP19A1 2936/4885
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PDE2A, PDE3B, PDE3A BRD4 3879/4885CREBBP 2454/4885CYP19A1 1460/4885
US-20050159403-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of central nervous system damage PTGS2, PTGS1, PTGIS BRD4 3080/4885CREBBP 2091/4885CYP19A1 3331/4885
US-20050065154-A1 Treatment of migraine accompanied by nausea with a combination of cyclooxygenase-2 selective inhibitors and anti-nausea agents PTGS2, PTGS1, PTGES2 BRD4 769/4885CREBBP 1619/4885CYP19A1 1518/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB BRD4 2100/4885CREBBP 1578/4885CYP19A1 4043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.