SCHEMBL2202452

SCHEMBL2202452

Cc1cc(/C=C/C(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1/C=C/C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.47
S1PR3 Q99500 10/20 0.42
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 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
SCHEMBL2202454 1.00 S1PR1 (0.47) S1PR1S1PR3MEN1RAB9AKMT2A
SCHEMBL1860374 0.92 S1PR1 (0.45) S1PR1S1PR3MEN1RAB9AKMT2A
SCHEMBL1860375 0.92 S1PR1 (0.45) S1PR1S1PR3MEN1RAB9AKMT2A
SCHEMBL1859482 0.87 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL12214267 0.87 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL2207889 0.84 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL2207882 0.84 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL2457146 0.76 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL2457143 0.76 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL1857178 0.75 MCL1 (0.51) S1PR1S1PR3MEN1KMT2A

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-7981924-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-19 US disclosed
US-7981924-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-19 US disclosed
US-7981924-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-19 US disclosed
US-20080300294-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-04 US disclosed
US-20080300294-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-04 US disclosed
US-20080300294-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-04 US disclosed
EP-1954688-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-08-13 EP disclosed
WO-2007060626-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-31 WO disclosed
WO-2007060626-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-31 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-20080300294-A1 Novel Thiophene Derivatives TPMT, TSLP, NFATC1 S1PR1 1258/4885S1PR3 1088/4885MEN1 4107/4885

“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.