SCHEMBL212185

SCHEMBL212185

COC(C(COCc1ccccc1)NC(=O)OC(C)(C)C)C1COC(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
KLK5 Q9Y337 6/20 0.48
KLK7 P49862 4/20 0.48
CTSS P25774 1/20 0.46
PPARG P37231 1/20 0.45
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 3/20 0.39
CDC25B P30305 3/20 0.39
PTPN2 P17706 2/20 0.39
CDC25A P30304 1/20 0.39
REN P00797 1/20 0.38
CTSL P07711 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
SCHEMBL212186 0.79 PPARA (0.49) PPARAKLK5KLK7CTSSPPARG
SCHEMBL2727081 0.79 PPARA (0.49) PPARAKLK5KLK7CTSSPPARG
SCHEMBL7338282 0.75 PPARA (0.65) PPARAKLK5KLK7CTSSPPARG
SCHEMBL8734610 0.75 PPARA (0.65) PPARAKLK5KLK7CTSSPPARG
SCHEMBL13537920 0.75 KLK7 (0.59) PPARAKLK5KLK7CTSSPPARG
SCHEMBL13537921 0.75 KLK7 (0.59) PPARAKLK5KLK7CTSSPPARG
SCHEMBL25467761 0.74 PPARA (0.63) PPARAKLK5KLK7CTSSPPARG
SCHEMBL25467796 0.73 PPARA (0.62) PPARAKLK5KLK7CTSSPPARG
SCHEMBL20263096 0.73 HTT (0.46) MEN1KMT2A
SCHEMBL15451431 0.73 HTT (0.46) MEN1KMT2A

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 PPARA 1285/4885KLK5 2953/4885KLK7 3810/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PPARA 1285/4885KLK5 2953/4885KLK7 3810/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PPARA 1285/4885KLK5 2953/4885KLK7 3810/4885

“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.