SCHEMBL2456907

SCHEMBL2456907

Cc1sc(C(=O)CCc2ccc(CCC(=O)O)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.79
S1PR3 Q99500 16/20 0.79
CACNA1G O43497 1/20 0.59
CACNA1H O95180 1/20 0.59
CACNA1I Q9P0X4 1/20 0.59

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
SCHEMBL2944293 0.92 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2456566 0.91 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL2455984 0.91 S1PR1 (0.73) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL1382425 0.89 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL2461792 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2459070 0.88 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL2454748 0.88 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2454139 0.87 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL13002084 0.87 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL2454147 0.86 S1PR1 (0.72) S1PR1S1PR3CACNA1GCACNA1HCACNA1I

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 77/4885CACNA1G 895/4885

“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.