SCHEMBL1801435

SCHEMBL1801435

CCc1sc(C=CC(=O)c2cc(C)c(O)c(C)c2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL1801436 0.77 USP2 (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL89770 0.74 USP2 (0.47) USP2ALDH1A1LMNAALOX15SMN1; SMN2
SCHEMBL2289352 0.71 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL261687 0.68 PTGS1 (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL56694 0.67 USP2 (0.50) USP2ALDH1A1LMNAALOX15SMN1; SMN2
SCHEMBL1862014 0.67 S1PR1 (0.44)
SCHEMBL1857766 0.67 S1PR1 (0.44)
SCHEMBL1857863 0.67 S1PR1 (0.40)
SCHEMBL1857451 0.66 S1PR1 (0.41)
SCHEMBL4474280 0.65 CYP1A2 (0.62) 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 4194/4885ALDH1A1 2314/4885LMNA 4884/4885

“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.