SCHEMBL6725499

SCHEMBL6725499

CS(=O)(=O)c1ccc(-c2cscc2-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
PTGS1 P23219 2/20 0.40
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SCN9A Q15858 2/20 0.39
PTGES2 Q9H7Z7 2/20 0.38
DHODH Q02127 4/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
KAT6A Q92794 1/20 0.36

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
SCHEMBL6729970 0.89 PTGS2 (0.51) PTGS2PTGS1SCN9A
SCHEMBL6734732 0.87 PTGS2 (0.44) PTGS2PIM1PIM2PTGS1KCNH2
SCHEMBL7537753 0.82 RPS6KA3 (0.51) PIM1PIM2DHODHNR1H2NR1H3
SCHEMBL6721924 0.82 ALOX5AP (0.46) PTGS2PTGS1NR1H2NR1H3
SCHEMBL7541582 0.81 DHODH (0.43) PTGS2PIM1PIM2PTGS1KCNH2
SCHEMBL6718753 0.81 PTGS2 (0.48) PTGS2PTGS1DHODH
SCHEMBL6722775 0.81 PTGS2 (0.51) PTGS2PTGS1SCN9A
SCHEMBL7546443 0.81 PTGS2 (0.48) PTGS2PIM1PIM2PTGS1PTGES2
SCHEMBL6725999 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6723701 0.81 PTGS2 (0.60) PTGS2PTGS1

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 8 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-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes PHARMACIA CORPORATION 2003-12-18 US disclosed
US-6600052-B1 With a ring cyclizing reagent to form the compound of Formula V to yield a compound of Formula V: inhibitors of the cyclooxygenase- II enzyme. and antiinflammatory agents and analgesic pharmaceutical agents. PHARMACIA CORPORATION 2003-07-29 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
EP-1276736-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES Pharmacia Corporation (US) 2003-01-22 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081333-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES PHARMACIA CORPORATION (US) 2001-11-01 WO 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 (3 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 5/4885PIM1 2964/4885PIM2 1970/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 PTGS2 784/4885PIM1 2098/4885PIM2 956/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PIM1 3179/4885PIM2 2141/4885

“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.