SCHEMBL1801436

SCHEMBL1801436

CCc1sc(C(=O)C=Cc2cc(C)c(O)c(C)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1801435 0.77 USP2 (0.39) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1799024 0.73 USP2 (0.49) USP2PTGS1PTGS2
SCHEMBL12379895 0.71 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL2289354 0.71 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL21219011 0.70 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL499507 0.70 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL1800329 0.69 USP2 (0.67) USP2
SCHEMBL1531502 0.69 USP2 (0.67) USP2
SCHEMBL261688 0.68 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL268965 0.68 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6

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-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 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 (1 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-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 USP2 4194/4885CYP1A2 2579/4885CYP3A4 712/4885

“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.