SCHEMBL6733294

SCHEMBL6733294

Cc1cc(C)cc(-n2nc(C(F)(F)F)cc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.57
CYP2C9 P11712 2/20 0.57
PTGS1 P23219 5/20 0.54
PDPK1 O15530 3/20 0.53
PTGES O14684 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
PDE5A O76074 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
ADRB3 P13945 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL6739337 0.90 PTGS2 (0.54) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6728596 0.89 PTGS2 (0.72) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6729543 0.89 PTGS2 (0.58) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6739048 0.89 PTGS2 (0.53) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6737124 0.89 PTGS2 (0.57) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6729892 0.88 PTGS2 (0.54) PTGS2CYP2C9PTGS1PDPK1
SCHEMBL6734465 0.88 PTGS2 (0.52) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6729061 0.88 PTGS2 (0.52) PTGS2CYP2C9PTGS1PDPK1PTGES
SCHEMBL6732759 0.87 PTGS2 (0.54) PTGS2CYP2C9PTGS1
SCHEMBL6728628 0.87 PTGS2 (0.72) PTGS2CYP2C9PTGS1PDPK1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP claimed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 (3 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885CYP2C9 2269/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885CYP2C9 2269/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885CYP2C9 2269/4885PTGS1 4/4885

“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.