SCHEMBL5569941

SCHEMBL5569941

CCCOc1ccc(C(=O)OCC[C@@H](Cc2ccc(-c3c[nH]c(C(C)(C)C)n3)cc2)NC(C)=O)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
CENPE Q02224 1/20 0.38
XDH P47989 3/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 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
SCHEMBL5566639 0.91 CENPE (0.47) ACACBCENPEXDHS1PR1
SCHEMBL5566646 0.91 CENPE (0.47) ACACBCENPEXDHS1PR1
SCHEMBL5566647 0.91 CENPE (0.47) ACACBCENPEXDHS1PR1
SCHEMBL10274283 0.86 CENPE (0.52) ACACBCENPEXDHALDH1A1HPGD
SCHEMBL13162058 0.76 CENPE (0.64) CENPEXDHS1PR1
SCHEMBL3462485 0.76 CENPE (0.64) CENPEXDHS1PR1
SCHEMBL14421615 0.73 MME (0.35) ACACBCENPE
SCHEMBL13456913 0.71 CENPE (0.56) CENPEXDHALDH1A1HPGDS1PR1
SCHEMBL2617238 0.71 TAS1R3 (0.43) ACACBCENPEHPGD
SCHEMBL14873618 0.71 CENPE (0.48) CENPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ACACB 903/4885CENPE 54/4885XDH 3591/4885

“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.