SCHEMBL6722703

SCHEMBL6722703

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.78
PTGS1 P23219 7/20 0.74
CYP2C9 P11712 2/20 0.61
PDPK1 O15530 4/20 0.60
PTGES O14684 1/20 0.60
HDAC3 O15379 1/20 0.60
CA12 O43570 1/20 0.60
PDE5A O76074 1/20 0.60
ABCB11 O95342 1/20 0.60
MT-CO2 P00403 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 1/20 0.60
CA3 P07451 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX5 P09917 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2D6 P10635 1/20 0.60
ADRB3 P13945 1/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL6721983 0.93 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6821187 0.91 PTGS2 (0.76) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6721381 0.91 PTGS2 (0.79) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6409589 0.91 PTGS2 (0.75) PTGS2PTGS1PDPK1
SCHEMBL6726597 0.90 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6728774 0.88 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6950710 0.88 PTGS2 (0.71) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6723292 0.88 PTGS2 (1.00) PTGS2PTGS1CYP2C9CYP3A4TSHR
SCHEMBL6723191 0.87 PTGS2 (0.73) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6721350 0.86 PTGS2 (0.66) PTGS2PTGS1CYP2C9PDPK1PTGES

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 PTGS2 5/4885PTGS1 4/4885CYP2C9 1857/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885CYP2C9 1723/4885

“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.