SCHEMBL2064853

SCHEMBL2064853

CCOC(=O)c1ccc(-c2noc(-c3cc(C)c(CN(CC)CC)s3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
S1PR1 P21453 11/20 0.46
S1PR3 Q99500 9/20 0.46
S1PR5 Q9H228 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2064223 0.89 RARA (0.59) RARARARBRARGS1PR1S1PR3
SCHEMBL2064521 0.86 MCHR1 (0.45) RARARARBRARGS1PR1S1PR3
SCHEMBL2064249 0.83 S1PR1 (0.47) RARARARBRARGS1PR1S1PR3
SCHEMBL2064868 0.83 MCHR1 (0.49) RARARARBRARGS1PR1S1PR3
SCHEMBL2065252 0.83 MCHR1 (0.47) RARARARBRARGS1PR1S1PR3
SCHEMBL2064590 0.82 S1PR1 (0.41) RARARARBRARGS1PR1S1PR3
SCHEMBL2064319 0.82 S1PR1 (0.48) RARARARBRARGS1PR1S1PR3
SCHEMBL3721244 0.82 S1PR1 (0.43) RARARARBRARGS1PR1S1PR3
SCHEMBL2063945 0.81 RARA (0.40) RARARARBRARGS1PR1S1PR3
SCHEMBL2065052 0.81 RARA (0.40) RARARARBRARGS1PR1S1PR3

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 RARA 4268/4885RARB 3715/4885RARG 2473/4885

“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.