SCHEMBL214080

SCHEMBL214080

CC(C)(C)OC(=O)CN[C@H](COCc1ccccc1)CN(CC(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CTSS P25774 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
PPARG P37231 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
BACE1 P56817 2/20 0.36
SYK P43405 1/20 0.36
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL214081 0.79 NPSR1 (0.43) PPARANPSR1CTSSL3MBTL1PPARG
SCHEMBL214082 0.79 NPSR1 (0.43) PPARANPSR1CTSSL3MBTL1PPARG
SCHEMBL211125 0.78 CA14 (0.34)
SCHEMBL9625936 0.75 PPARA (0.53) PPARANPSR1CTSSL3MBTL1PPARG
SCHEMBL1414344 0.75 PPARA (0.63) PPARANPSR1CTSSPPARGKLK7
SCHEMBL4863387 0.75 PPARA (0.63) PPARANPSR1CTSSPPARGKLK7
SCHEMBL6318413 0.75 PPARA (0.63) PPARANPSR1CTSSPPARGKLK7
SCHEMBL8070441 0.74 PPARA (0.56) PPARANPSR1CTSSPPARGSYK
SCHEMBL13943148 0.73 NPSR1 (0.40) PPARANPSR1CTSSL3MBTL1PPARG
SCHEMBL1414515 0.73 PPARA (0.55) PPARANPSR1CTSSPPARGSYK

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 8 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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 PPARA 1285/4885NPSR1 3598/4885CTSS 1668/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PPARA 1285/4885NPSR1 3598/4885CTSS 1668/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PPARA 1285/4885NPSR1 3598/4885CTSS 1668/4885

“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.