SCHEMBL2290136

SCHEMBL2290136

CCCc1c(CC(C)C)csc1C=CC(=O)c1cc(C)c(O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33

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
SCHEMBL2293887 0.91 ALDH1A1 (0.33) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2289369 0.85 ALDH1A1 (0.34) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL12379900 0.80 CYP1A2 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL2290142 0.80 CYP1A2 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL12379901 0.73 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9
SCHEMBL2293891 0.73 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9
SCHEMBL2289352 0.72 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9
SCHEMBL2290504 0.72 S1PR1 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL261687 0.70 PTGS1 (0.39) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2289373 0.69 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP claimed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US claimed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 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-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS S1PR3, S1PR1, S1PR2 ALDH1A1 1713/4885POLB 4812/4885MAPK1 1510/4885

“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.