SCHEMBL2065824

SCHEMBL2065824

CCN(CC)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H]4COC(C)(C)O4)c(OC)c3)no2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.40
S1PR3 Q99500 13/20 0.40
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2RL3 Q96RI0 1/20 0.32

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
SCHEMBL2065825 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR5ALDH1A1SMN1; SMN2
SCHEMBL2065315 0.82 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2066219 0.79 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2066218 0.79 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2064028 0.79 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2065671 0.77 S1PR1 (0.44) S1PR1S1PR3S1PR5ALDH1A1SMN1; SMN2
SCHEMBL27819337 0.77 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2065006 0.76 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL884078 0.73 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL884079 0.73 S1PR1 (0.73) 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.