SCHEMBL2065671

SCHEMBL2065671

CCN(CC)Cc1sc(-c2nc(-c3cc(C)c(O)c(OC)c3)no2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.44
S1PR3 Q99500 9/20 0.44
S1PR5 Q9H228 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2065272 0.86 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL2064625 0.86 S1PR1 (0.43) S1PR1S1PR3S1PR5SMN1; SMN2ALDH1A1
SCHEMBL2064171 0.85 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL2064028 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2065621 0.81 S1PR1 (0.40) S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1
SCHEMBL2065675 0.78 S1PR1 (0.41) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL884097 0.77 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2065824 0.77 S1PR1 (0.40) S1PR1S1PR3S1PR5SMN1; SMN2ALDH1A1
SCHEMBL2065825 0.77 S1PR1 (0.40) S1PR1S1PR3S1PR5SMN1; SMN2ALDH1A1
SCHEMBL2064249 0.77 S1PR1 (0.47) S1PR1S1PR3S1PR5SMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.