SCHEMBL2064028

SCHEMBL2064028

CCN(CC)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(OC)c3)no2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 14/20 0.56
S1PR5 Q9H228 1/20 0.52

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
SCHEMBL884114 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL884112 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL884079 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL884078 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL884096 0.83 S1PR1 (0.70) S1PR1S1PR3S1PR5
SCHEMBL884098 0.83 S1PR1 (0.70) S1PR1S1PR3S1PR5
SCHEMBL2064752 0.83 S1PR1 (0.43) S1PR1S1PR3S1PR5
SCHEMBL2065671 0.82 S1PR1 (0.44) S1PR1S1PR3S1PR5
SCHEMBL2064574 0.82 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL883951 0.82 S1PR1 (0.72) S1PR1S1PR3S1PR5

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-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885S1PR5 3/4885

“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.