SCHEMBL13626684

SCHEMBL13626684

CC(C)Oc1ccc(C(=O)N[C@H](CCC(=O)CO)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.73
KIFC1 Q9BW19 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
S1PR1 P21453 5/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
P2RX3 P56373 2/20 0.34
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
POLB P06746 1/20 0.33
WDR5 P61964 1/20 0.32

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
SCHEMBL4428105 0.93 CENPE (0.77) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2103186 0.93 CENPE (0.77) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL360385 0.93 CENPE (0.77) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3213358 0.93 CENPE (0.77) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2105261 0.92 CENPE (0.74) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3461906 0.92 CENPE (0.74) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2617330 0.90 CENPE (0.79) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2104360 0.89 CENPE (0.78) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3461806 0.89 CENPE (0.86) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2105447 0.89 CENPE (0.86) CENPEKIFC1ALDH1A1KDM4EMAPT

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-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 (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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885

“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.