SCHEMBL6723503

SCHEMBL6723503

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.65
PTGS1 P23219 7/20 0.65
PDPK1 O15530 2/20 0.62
CYP2C9 P11712 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL6721918 0.93 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP2C9CYP1A2
SCHEMBL6729339 0.92 PTGS2 (0.57) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6718487 0.91 PTGS2 (0.74) PTGS2PTGS1CYP2C9
SCHEMBL6724028 0.90 PTGS2 (0.63) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6723842 0.90 PTGS2 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL6721886 0.90 PTGS2 (0.73) PTGS2PTGS1PDPK1CYP2C9CYP3A4
SCHEMBL6725929 0.90 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6723628 0.90 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6723633 0.89 PTGS2 (0.57) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6723564 0.89 PTGS2 (0.62) PTGS2PTGS1PDPK1CYP2C9

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 PTGS2 5/4885PTGS1 4/4885PDPK1 3101/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885PDPK1 3098/4885

“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.