SCHEMBL6728736

SCHEMBL6728736

Cc1cc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
TGFBR1 P36897 2/20 0.34
MAPK14 Q16539 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
BRAF P15056 2/20 0.33
DPP4 P27487 1/20 0.33
CXCR2 P25025 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 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
SCHEMBL6721387 0.92 ESR1 (0.35) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6728179 0.89 ESR1 (0.36) ESR1ESR2TGFBR1CYP11B1CYP11B2
SCHEMBL6732561 0.89 NR1H2 (0.34) ESR1ESR2MAPK14PTGS2PTGS1
SCHEMBL6726563 0.88 TGFBR1 (0.43) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6719155 0.88 ESR1 (0.39) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6718891 0.87 PTGS2 (0.43) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6729149 0.86 ESR1 (0.40) ESR1ESR2TGFBR1MAPK14CYP3A4
SCHEMBL6723527 0.86 KIF11 (0.40) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6718684 0.85 ESR1 (0.37) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6722668 0.84 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGMAPK14

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 2 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
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US 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 ESR1 1770/4885ESR2 176/4885PIK3CD 4290/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ESR1 1900/4885ESR2 160/4885PIK3CD 4382/4885

“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.