SCHEMBL211382

SCHEMBL211382

CCOC(=O)CNC(=O)NCCC[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
SIRT5 Q9NXA8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EPHX2 P34913 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
SCHEMBL210710 0.94 CTSK (0.33) SIRT5ALDH1A1EPHX2
SCHEMBL2839476 0.93 ABL1 (0.31) ABL1SIRT5
SCHEMBL211408 0.92 ABL1 (0.32) ABL1
SCHEMBL2842144 0.91 ABL1 (0.32) ABL1
SCHEMBL213597 0.90 ABL1 (0.30) ABL1
SCHEMBL211948 0.90 ABL1 (0.30) ABL1
SCHEMBL211383 0.89 ABL1 (0.32) ABL1PIK3C3SIRT5ALDH1A1EPHX2
SCHEMBL210176 0.89 ABL1 (0.33) ABL1PIK3C3
SCHEMBL211554 0.89 P2RX4 (0.32) ABL1
SCHEMBL210204 0.88 ABL1 (0.34) ABL1

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 ABL1 956/4885PIK3C3 3283/4885SIRT5 2389/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885PIK3C3 3283/4885SIRT5 2389/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885PIK3C3 3283/4885SIRT5 2389/4885

“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.