SCHEMBL6721985

SCHEMBL6721985

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 5/20 0.45
PTGS2 P35354 5/20 0.45
ALOX5 P09917 2/20 0.43
MAPK14 Q16539 3/20 0.42
BRAF P15056 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6723408 0.92 BRAF (0.49) ESR1ESR2ALDH1A1PTGS1PTGS2
SCHEMBL6721490 0.91 ESR1 (0.43) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6722617 0.91 ESR1 (0.43) ESR1ESR2ALDH1A1PTGS1PTGS2
SCHEMBL6729182 0.91 ESR1 (0.43) ESR1ESR2ALDH1A1HPGDPTGS1
SCHEMBL6723345 0.90 ESR1 (0.44) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6726312 0.90 PTGS1 (0.46) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6730003 0.89 ESR1 (0.41) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6723168 0.89 ESR1 (0.41) ESR1ESR2ALDH1A1PTGS1PTGS2
SCHEMBL6722772 0.89 MAPK14 (0.47) ESR1ESR2PTGS2ALOX5MAPK14
SCHEMBL6721412 0.89 MAPK14 (0.47) ESR1ESR2PTGS1PTGS2ALOX5

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 ESR1 1770/4885ESR2 176/4885ALDH1A1 263/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ESR1 1900/4885ESR2 160/4885ALDH1A1 298/4885

“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.