SCHEMBL7045462

SCHEMBL7045462

Cc1nc(-c2cccnc2-c2ccc(S(C)(=O)=O)c(F)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
HPGD P15428 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 1/20 0.39
ALOX5AP P20292 5/20 0.39
FEN1 P39748 5/20 0.39
TGFBR1 P36897 1/20 0.36
GRM4 Q14833 1/20 0.36
MAPT P10636 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6718990 0.90 SCN9A (0.44) SCN9APTGS2PTGS1HPGDALOX5AP
SCHEMBL7042019 0.83 TGFBR1 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6720109 0.83 SCN9A (0.39) SCN9AHPGDHTTALOX5APFEN1
SCHEMBL7045390 0.82 PTGS2 (0.47) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7040769 0.82 TGFBR1 (0.47) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6749607 0.81 SCN9A (0.40) SCN9APTGS2HPGDHTTALOX5AP
SCHEMBL6721676 0.81 PTGS2 (0.44) SCN9APTGS2PTGS1HPGDPIK3CD
SCHEMBL7537374 0.80 PTGS2 (0.51) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7048786 0.79 PTGS2 (0.47) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7546260 0.79 PTGS2 (0.47) PTGS2PTGS1PIK3CDPIK3CAPIK3CB

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 SCN9A 4442/4885PTGS2 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.