SCHEMBL1631951

SCHEMBL1631951

COC(=O)[C@H](C)CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CTSA P10619 1/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CFTR P13569 2/20 0.34

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
SCHEMBL1630118 0.92 MAPT (0.40) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1632813 0.92 CTSL (0.37) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1632185 0.92 CTSL (0.37) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1631233 0.90 PDCD1LG2 (0.42) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1630748 0.90 PDCD1LG2 (0.42) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1631422 0.90 KDM4E (0.35) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL4112386 0.89 MAPT (0.38) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1632845 0.89 MAPT (0.38) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1632908 0.89 NPC1 (0.38) CTSLCTSSKDM4EMEN1MAPT
SCHEMBL1630977 0.89 NPC1 (0.38) CTSLCTSSKDM4EMEN1MAPT

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
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CTSL 3448/4885CTSS 1567/4885KDM4E 3309/4885

“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.