SCHEMBL210710

SCHEMBL210710

CCOC(=O)CNC(=O)NCCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PPID Q08752 3/20 0.33
EPHX2 P34913 1/20 0.32
QPCT Q16769 1/20 0.32
SIRT5 Q9NXA8 1/20 0.31
MAPK1 P28482 2/20 0.31
HTT P42858 1/20 0.31
NOTUM Q6P988 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL211382 0.94 ABL1 (0.32) ALDH1A1EPHX2SIRT5
SCHEMBL4345669 0.93 CTSK (0.32) CTSKQPCTSIRT5MAPK1
SCHEMBL210708 0.91 CTSK (0.33) CTSKQPCTMAPK1NOTUM
SCHEMBL15808457 0.89 CTSK (0.34) CTSKALDH1A1PPIDEPHX2QPCT
SCHEMBL212018 0.89 CTSK (0.34) CTSKALDH1A1PPIDEPHX2QPCT
SCHEMBL212056 0.88 ABL1 (0.31) CTSK
SCHEMBL210728 0.88 CTSK (0.33) CTSKALDH1A1EPHX2QPCTNOTUM
SCHEMBL2839476 0.87 ABL1 (0.31) SIRT5
SCHEMBL212805 0.87 ABL1 (0.32) CTSKMAPK1
SCHEMBL210546 0.86 CTSK (0.34) CTSKALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CTSK 1455/4885ALDH1A1 1710/4885PPID 3885/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ALDH1A1 1710/4885PPID 3885/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ALDH1A1 1710/4885PPID 3885/4885

“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.