SCHEMBL2289369

SCHEMBL2289369

Cc1cc(C(=O)C=Cc2scc(CC(C)C)c2C)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.89 ALDH1A1 (0.33) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2290136 0.85 ALDH1A1 (0.33) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2289373 0.78 CYP1A2 (0.46)
SCHEMBL12379897 0.78 CYP1A2 (0.46)
SCHEMBL2289352 0.77 CYP1A2 (0.34)
SCHEMBL261687 0.74 PTGS1 (0.39) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2293891 0.72 CYP1A2 (0.44)
SCHEMBL12379901 0.72 CYP1A2 (0.44)
SCHEMBL12379900 0.69 CYP1A2 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2290142 0.69 CYP1A2 (0.41) ALDH1A1POLBMAPK1SMN1; SMN2

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 5 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 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.