SCHEMBL263381

SCHEMBL263381

CC(C)=Cc1sc(C(=O)O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.45
GPR35 Q9HC97 4/20 0.39
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
BCL2L1 Q07817 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL20614418 0.86 DAO (0.52) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL262357 0.84 CSNK2A2 (0.41) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL2064339 0.81 DAO (0.59) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL20828959 0.74 HPGD (0.32) HPGD
SCHEMBL835069 0.71 DAO (1.00) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL3093344 0.70 DAO (0.65) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL31612455 0.69 MAPT (0.39) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL1472954 0.68 DAO (0.63) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL1529585 0.68 DAO (1.00) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL7431737 0.66 CSNK2A2 (0.43) DAOKDM4EMAPTMEN1ALDH1A1

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 12 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-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US 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
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 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
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 DAO 4844/4885KDM4E 1389/4885MAPT 4543/4885

“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.