SCHEMBL5566143

SCHEMBL5566143

FC(F)(F)C1C=Cc2cccc(Cl)c2O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.47
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ AHR P35869 1/20 0.31

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
SCHEMBL7849167 0.81 HTR2C (0.35) P2RY6HTR2C
SCHEMBL5559994 0.74 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL29663770 0.72 P2RY6 (0.41) P2RY6
SCHEMBL1930991 0.72 P2RY6 (0.41) P2RY6
SCHEMBL5565980 0.69 PTGS2 (0.45) P2RY6PTGS1PTGS2AHR
SCHEMBL5981834 0.67 PTGS2 (0.43) PTGS1PTGS2AHR
SCHEMBL6093787 0.65 PTGS2 (0.68) P2RY6PTGS1PTGS2
SCHEMBL216253 0.65 PTGS2 (0.68) P2RY6PTGS1PTGS2
SCHEMBL5559765 0.65 PTGS2 (0.37) PTGS1PTGS2
SCHEMBL7849593 0.65 PTGS2 (0.35) PTGS1PTGS2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 — — 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-20050148589-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a neurotrophic factor-modulating agent for the treatment of central nervous system mediated disorders PHARMACIA & UPJOHN COMPANY LLC (US) 2005-07-07 — — US disclosed
US-20050113434-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-05-26 — — US disclosed
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-05-26 — — 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-20050101629-A1 Compositions of a chromene cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system PHARMACIA CORPORATION (US) 2005-05-12 — — 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 (9 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-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 P2RY6 447/4885HTR2C 520/4885HTR2B 576/4885
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 P2RY6 250/4885HTR2C 985/4885HTR2B 711/4885
US-20050101629-A1 Compositions of a chromene cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system ACHE, CHRNA2, CHRM3 P2RY6 667/4885HTR2C 196/4885HTR2B 239/4885
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 P2RY6 422/4885HTR2C 22/4885HTR2B 47/4885
US-20050113434-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 P2RY6 765/4885HTR2C 693/4885HTR2B 303/4885
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 P2RY6 765/4885HTR2C 693/4885HTR2B 303/4885
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury XDH, PTGS2, PTGS1 P2RY6 417/4885HTR2C 260/4885HTR2B 317/4885
US-20050148589-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a neurotrophic factor-modulating agent for the treatment of central nervous system mediated disorders BDNF, NTRK2, NGF P2RY6 323/4885HTR2C 117/4885HTR2B 143/4885
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 P2RY6 136/4885HTR2C 370/4885HTR2B 414/4885

“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.

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