SCHEMBL2462996

SCHEMBL2462996

COc1cc(C(=O)C=Cc2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(F)c1O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.45
S1PR3 Q99500 8/20 0.43
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL3772219 0.93 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2456700 0.89 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL2459261 0.85 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2462250 0.83 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL13002073 0.82 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2457233 0.80 MAOB (0.48) S1PR1S1PR3
SCHEMBL2463977 0.79 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL2454474 0.79 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL2462477 0.78 MAPT (0.48) S1PR1S1PR3
SCHEMBL2454104 0.77 CACNA1G (0.41) S1PR1S1PR3

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-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP disclosed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US disclosed
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1863475-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 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-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists GRK2, GRK4, GPR174 S1PR1 19/4885S1PR3 77/4885TUBB1 3642/4885

“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.