SCHEMBL6723012

SCHEMBL6723012

Cc1cc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.38
SCN5A Q14524 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PTGS2 P35354 2/20 0.34
TGFBR1 P36897 2/20 0.34
PTGS1 P23219 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPK14 Q16539 2/20 0.33
BRAF P15056 2/20 0.33

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
SCHEMBL6719121 0.92 ESR1 (0.35) GRM2ESR1ESR2PIK3CDPIK3CA
SCHEMBL6734897 0.89 SCN5A (0.36) GRM2SCN5AESR1ESR2PTGS2
SCHEMBL6741262 0.89 PTGS2 (0.37) GRM2SCN5AESR1ESR2PTGS2
SCHEMBL6719155 0.88 ESR1 (0.39) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6726563 0.88 TGFBR1 (0.43) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6729964 0.87 GRM2 (0.37) GRM2SCN5APIK3CDPIK3CAPIK3CB
SCHEMBL6718891 0.87 PTGS2 (0.43) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6723527 0.86 KIF11 (0.40) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL6721645 0.86 ESR1 (0.40) SCN5AESR1ESR2PIK3CDPIK3CA
SCHEMBL6718684 0.85 ESR1 (0.37) ESR1ESR2PIK3CDPIK3CAPIK3CB

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 GRM2 893/4885SCN5A 4251/4885ESR1 1770/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 GRM2 814/4885SCN5A 4246/4885ESR1 1900/4885

“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.