SCHEMBL262357

SCHEMBL262357

COC(=O)c1cc(C)c(C=C(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
KDR P35968 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DAO P14920 2/20 0.38
OPRD1 P41143 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37

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
SCHEMBL263381 0.84 DAO (0.55) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL7431737 0.83 CSNK2A2 (0.43) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL17858511 0.78 CSNK2A2 (0.38) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL9925990 0.74 KDM4E (0.67) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL18051446 0.72 CSNK2A2 (0.45) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL3210679 0.72 CISD2 (0.47) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL261464 0.72 CSNK2A2 (0.45) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL16302070 0.72 DAO (0.69) CSNK2A2KDRCSNK2BCSNK2A1KDM4E
SCHEMBL20614418 0.71 DAO (0.52) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL15080340 0.70 CSNK2A2 (0.44) CSNK2A2KDRCSNK2BCSNK2A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528726-B Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-14 CN disclosed
EP-2069322-B1 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 US disclosed
CN-101528726-A Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists S1PR1, S1PR3, S1PR2 CSNK2A2 3818/4885KDR 534/4885CSNK2B 3652/4885

“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.