SCHEMBL261320

SCHEMBL261320

CCc1cc(-c2nnc(-c3ccc(CC(C)C)s3)o2)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.42
S1PR3 Q99500 4/20 0.42
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 1/20 0.33
FBP1 P09467 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 2/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL262292 0.92 S1PR1 (0.39) S1PR1S1PR3HDAC4HDAC1HDAC6
SCHEMBL14285688 0.88 S1PR1 (0.43) S1PR1S1PR3HDAC4HDAC1HDAC6
SCHEMBL263501 0.87 S1PR1 (0.37) S1PR1S1PR3HDAC4HDAC1HDAC6
SCHEMBL263803 0.85 S1PR1 (0.34) S1PR1S1PR3FBP1
SCHEMBL14285686 0.84 S1PR1 (0.43) S1PR1S1PR3HDAC4HDAC1HDAC6
SCHEMBL263959 0.82 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2294359 0.79 S1PR1 (0.40) S1PR1S1PR3KDM4EHPGDALDH1A1
SCHEMBL3402136 0.76 S1PR1 (0.43) S1PR1S1PR3NR1H4
SCHEMBL2288280 0.76 S1PR1 (0.40) S1PR1S1PR3KDM4EHPGDALDH1A1
SCHEMBL2544652 0.76 S1PR1 (0.51) S1PR1S1PR3KDM4EHPGDALDH1A1

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 11 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

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 S1PR1 1/4885S1PR3 2/4885HDAC4 2757/4885

“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.