SCHEMBL2064694

SCHEMBL2064694

CCN(CC)Cc1sc(-c2nc(-c3ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)cc3)no2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.40
S1PR3 Q99500 7/20 0.40
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
S1PR5 Q9H228 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
P2RY14 Q15391 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
POLB P06746 1/20 0.35
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2064418 0.85 HDAC4 (0.43) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2063900 0.84 PIK3CD (0.42) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2064962 0.83 RARA (0.41) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2064590 0.83 S1PR1 (0.41) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2064223 0.75 RARA (0.59) S1PR1S1PR3RARARARBRARG
SCHEMBL2064868 0.75 MCHR1 (0.49) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2064521 0.75 MCHR1 (0.45) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL2064853 0.75 RARA (0.46) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2065809 0.75 S1PR1 (0.40) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2066234 0.74 S1PR1 (0.45) S1PR1S1PR3HDAC4HDAC6S1PR5

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 S1PR1 1/4885S1PR3 2/4885HDAC4 2657/4885

“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.