SCHEMBL210653

SCHEMBL210653

CN(C(=O)OC(C)(C)C)C(CN)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
NPSR1 Q6W5P4 1/20 0.47
PPARA Q07869 2/20 0.47
CTSS P25774 1/20 0.45
MAOB P27338 1/20 0.44
PPARG P37231 1/20 0.43
SLC1A1 P43005 1/20 0.41
CA1 P00915 1/20 0.40
RAB9A P51151 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
LTA4H P09960 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL210654 1.00 L3MBTL1 (0.50) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL4859584 0.89 NPSR1 (0.47) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL4864100 0.89 NPSR1 (0.48) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL1002114 0.86 NPSR1 (0.47) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL6316448 0.84 ATM (0.42) L3MBTL1CTSSHDAC3HDAC1HDAC2
SCHEMBL6859161 0.83 L3MBTL1 (0.50) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL4860811 0.82 NPSR1 (0.44) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL22087770 0.82 NPSR1 (0.44) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL9606810 0.82 L3MBTL1 (0.46) L3MBTL1NPSR1PPARACTSSMAOB
SCHEMBL1374797 0.82 PPARA (0.52) L3MBTL1NPSR1PPARACTSSMAOB

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 L3MBTL1 4642/4885NPSR1 3598/4885PPARA 1285/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 L3MBTL1 4642/4885NPSR1 3598/4885PPARA 1285/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 L3MBTL1 4642/4885NPSR1 3598/4885PPARA 1285/4885

“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.