SCHEMBL14009266

SCHEMBL14009266

CC(C)[C@@H](CO)NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ ICAM1 P05362 1/20 0.37
▸ SELE P16581 1/20 0.37
▸ VCAM1 P19320 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 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
SCHEMBL14009146 0.87 ROCK1 (0.43) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14009094 0.83 ROCK1 (0.42) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14009122 0.83 S1PR1 (0.41) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14009100 0.83 NAMPT (0.43) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14009176 0.82 ROCK1 (0.41) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14609432 0.81 ROCK1 (0.45) S1PR1ROCK1SYKICAM1SELE
SCHEMBL14609404 0.81 ROCK1 (0.45) S1PR1ROCK1ICAM1SELEVCAM1
SCHEMBL14009163 0.80 ROCK1 (0.51) S1PR1ROCK1ICAM1SELEVCAM1
SCHEMBL14009349 0.80 ROCK1 (0.46) S1PR1ROCK1ICAM1SELEVCAM1
SCHEMBL14009160 0.80 SMYD3 (0.43) S1PR1ROCK1SYKSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 S1PR1 2163/4885ROCK1 1401/4885SYK 1554/4885

“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.

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