SCHEMBL4345669

SCHEMBL4345669

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCCNC(=O)NCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32
MAPK1 P28482 1/20 0.32
QPCT Q16769 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
P2RX4 Q99571 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
SCHEMBL2839476 0.94 ABL1 (0.31) SIRT5
SCHEMBL210708 0.93 CTSK (0.33) CTSKMAPK1QPCTP2RX4
SCHEMBL210710 0.93 CTSK (0.33) CTSKMAPK1QPCTSIRT5
SCHEMBL212056 0.90 ABL1 (0.31) CTSK
SCHEMBL213060 0.90 CTSK (0.35) CTSKSIRT5P2RX4
SCHEMBL210728 0.89 CTSK (0.33) CTSKQPCTP2RX4
SCHEMBL4345673 0.89 CTSK (0.34) CTSKMAPK1QPCTSIRT5
SCHEMBL212805 0.89 ABL1 (0.32) CTSKMAPK1
SCHEMBL211313 0.88 GCG (0.35) CTSKMAPK1
SCHEMBL210223 0.88 CTSK (0.34) CTSKP2RX4

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-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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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 1455/4885MAPK1 2926/4885QPCT 1995/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885QPCT 1995/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885QPCT 1995/4885

“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.