SCHEMBL13626914

SCHEMBL13626914

CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(OCc3ccc(F)cc3)cc2)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.57
S1PR1 P21453 17/20 0.45
S1PR3 Q99500 1/20 0.41
MAOB P27338 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL2617271 0.87 CENPE (0.48) CENPEMAOB
SCHEMBL2617273 0.87 CENPE (0.64) CENPES1PR1S1PR3XDH
SCHEMBL14531634 0.85 CENPE (0.64) CENPES1PR1S1PR3XDH
SCHEMBL4534322 0.84 CENPE (0.63) CENPES1PR1S1PR3XDH
SCHEMBL2104297 0.84 CENPE (0.63) CENPES1PR1S1PR3XDH
SCHEMBL2104270 0.83 CENPE (0.61) CENPES1PR1S1PR3XDH
SCHEMBL13644395 0.80 CENPE (0.61) CENPES1PR1S1PR3XDH
SCHEMBL3462107 0.76 CENPE (0.69) CENPES1PR1S1PR3XDH
SCHEMBL13161696 0.76 CENPE (0.69) CENPES1PR1S1PR3XDH
SCHEMBL2631399 0.76 CENPE (0.47) CENPES1PR1S1PR3XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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 (2 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885S1PR3 2814/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885S1PR1 2584/4885S1PR3 2464/4885

“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.