SCHEMBL884307

SCHEMBL884307

CCc1cc(-c2nc(-c3cc(C)c(CCC(=O)O)c(CC)c3)no2)sc1CN(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.57
S1PR3 Q99500 15/20 0.57
S1PR5 Q9H228 2/20 0.57

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
SCHEMBL883987 0.92 S1PR1 (0.58) S1PR1S1PR3S1PR5
SCHEMBL2064030 0.87 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL2064573 0.87 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL2065231 0.86 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL884077 0.85 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL2293943 0.84 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2064428 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR5
Formic Acid SCHEMBL2064092 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL884097 0.81 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2064698 0.80 S1PR1 (0.51) 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 14 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 claimed
CN-101896482-B Thiophene derivatives as S1P1/EDG1 agonists ACTELION PHARMACEUTICALS LTD 2013-01-09 CN claimed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US claimed
CN-101896482-A Thiophene derivatives as S1P1/EDG1 agonists ACTELION PHARMACEUTICALS LTD 2010-11-24 CN claimed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US claimed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP claimed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO claimed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
CN-101896482-B Thiophene derivatives as S1P1/EDG1 agonists ACTELION PHARMACEUTICALS LTD 2013-01-09 CN disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
CN-101896482-A Thiophene derivatives as S1P1/EDG1 agonists ACTELION PHARMACEUTICALS LTD 2010-11-24 CN 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.