SCHEMBL6722696

SCHEMBL6722696

Cc1cc(-c2[nH]c(C(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TYK2 P29597 9/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK14 Q16539 2/20 0.34
ALOX5 P09917 1/20 0.33
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL6721946 0.92 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6723368 0.92 PTGS1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6721430 0.90 TGFBR1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6729929 0.90 PTGS2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6729827 0.89 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6734450 0.88 PTGS1 (0.34) TYK2PTGS1PTGS2CYP3A4MAPK14
SCHEMBL6723552 0.88 PTGS1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPTGS1
SCHEMBL6737558 0.88 PTGS2 (0.33) TYK2PTGS1PTGS2ALOX5KDM4E
SCHEMBL6729940 0.88 PTGS2 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGTYK2
SCHEMBL6721674 0.87 PTGS1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGTYK2

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 PIK3CD 4290/4885PIK3CA 3770/4885PIK3CB 2965/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PIK3CD 4382/4885PIK3CA 3934/4885PIK3CB 3178/4885

“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.