SCHEMBL7042019

SCHEMBL7042019

Cc1csc(-c2cccnc2-c2ccc(S(C)(=O)=O)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
GRM4 Q14833 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL6718980 0.90 PTGS2 (0.43) TGFBR1PTGS2PTGS1PDE10ACYP2E1
SCHEMBL7045462 0.83 SCN9A (0.45) TGFBR1PTGS2PTGS1PIK3CDPIK3CA
SCHEMBL7045390 0.83 PTGS2 (0.47) TGFBR1PTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6729350 0.83 TGFBR1 (0.40) TGFBR1PTGS2PTGS1PDE10ACYP2E1
SCHEMBL7537374 0.81 PTGS2 (0.51) TGFBR1PTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6750007 0.81 TGFBR1 (0.42) TGFBR1PTGS2PDE10ACYP2E1CYP3A4
SCHEMBL7040769 0.81 TGFBR1 (0.47) TGFBR1PTGS2PTGS1PIK3CDPIK3CA
SCHEMBL7546260 0.80 PTGS2 (0.47) TGFBR1PTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6729972 0.80 PTGS2 (0.45) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7048786 0.80 PTGS2 (0.47) TGFBR1PTGS2PTGS1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TGFBR1 1380/4885PTGS2 5/4885PTGS1 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.