SCHEMBL213117

SCHEMBL213117

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1onc(-c2ccccc2)c1C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.32
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.31
PTGFR P43088 6/20 0.31
NTRK1 P04629 2/20 0.31
MLYCD O95822 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
KLK6 Q92876 1/20 0.30
THRB P10828 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL211855 0.94 MAPK14 (0.31) MAPK14NPC1NTRK1
SCHEMBL213118 0.87 FOLH1 (0.34) MAPK14NPC1PTGFRNTRK1MLYCD
SCHEMBL210986 0.86 SCD5 (0.35) THRB
SCHEMBL210624 0.85 MAPT (0.41) NPC1THRB
SCHEMBL212860 0.82 KDM4E (0.38) NPC1
SCHEMBL211757 0.81 CSNK2A2 (0.41) PPARGNPC1
SCHEMBL2726246 0.81 NTRK1 (0.33) MAPK14NPC1NTRK1PRSS1PRSS2
SCHEMBL212595 0.81 MAPT (0.34) THRB
SCHEMBL211532 0.81 SMN1; SMN2 (0.35) MAPK14NPC1
SCHEMBL211943 0.81 MAPT (0.41) NTRK1

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 6 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-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 MAPK14 3484/4885PPARD 1645/4885PPARG 860/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK14 3484/4885PPARD 1645/4885PPARG 860/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK14 3484/4885PPARD 1645/4885PPARG 860/4885

“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.