SCHEMBL6730243

SCHEMBL6730243

Cc1ccc(C=S)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.42
NFE2L2 Q16236 3/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 1/20 0.37
FDPS P14324 1/20 0.36
GPR183 P32249 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR3 P46089 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL7037183 0.78 TUBB1 (0.42) TUBB1ACHEFDPSALOX5PTGS1
SCHEMBL13614803 0.77 TP53 (0.45) TUBB1NFE2L2HDAC1HDAC6ACHE
SCHEMBL16961237 0.77 TUBB1 (0.42) TUBB1NFE2L2HDAC1HDAC6ACHE
SCHEMBL229897 0.77 ALDH1A1 (0.47) TUBB1NFE2L2HDAC1HDAC6GPR183
SCHEMBL29453098 0.77 ALDH1A1 (0.47) TUBB1NFE2L2HDAC1HDAC6GPR183
SCHEMBL12506745 0.76 TUBB1 (0.49) TUBB1NFE2L2HDAC1HDAC6ACHE
SCHEMBL10624527 0.76 TUBB1 (0.49) TUBB1NFE2L2HDAC1HDAC6ACHE
SCHEMBL14569993 0.74 NFE2L2 (0.74) TUBB1NFE2L2ALOX5PTGS1PTGS2
SCHEMBL13463210 0.74 NFE2L2 (0.74) TUBB1NFE2L2ALOX5PTGS1PTGS2
SCHEMBL7087802 0.73 CYP3A4 (0.46) FDPSALOX5PTGS1PTGS2MAPT

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 9 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
US-3932498-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1976-01-13 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 (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 TUBB1 455/4885NFE2L2 46/4885HDAC1 718/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 TUBB1 1366/4885NFE2L2 1258/4885HDAC1 1259/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 TUBB1 443/4885NFE2L2 45/4885HDAC1 732/4885

“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.