SCHEMBL6722867

SCHEMBL6722867

COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)c(F)c3)csc2=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.46
PTGS1 P23219 9/20 0.46
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL6723295 0.92 PTGS2 (0.43) PTGS2PTGS1ALDH1A1GHSR
SCHEMBL6721908 0.91 PTGS2 (0.49) PTGS2PTGS1ALDH1A1
SCHEMBL6723201 0.89 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6718910 0.87 PTGS2 (0.40) PTGS2PTGS1HPGD
SCHEMBL6740527 0.86 PTGS2 (0.43) PTGS2PTGS1ALDH1A1CYP1A2CYP2C9
SCHEMBL6726121 0.85 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6722428 0.84 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6723729 0.83 PTGS2 (0.44) PTGS2PTGS1ALDH1A1
SCHEMBL6726139 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6722067 0.83 CCR2 (0.36) PTGS2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 (2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885PTGS1 4/4885ALDH1A1 263/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ALDH1A1 298/4885

“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.