Sugi Predict

Sugi Predict / Compounds / SCHEMBL212186

SCHEMBL212186

SCHEMBL212186

CC(C)(C)OC(=O)NC(COCc1ccccc1)COCC1COC(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.49
▸ KLK7 P49862 4/20 0.49
▸ KLK5 Q9Y337 4/20 0.49
▸ CTSS P25774 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ SYK P43405 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL2727081 1.00 PPARA (0.49) PPARAKLK7KLK5CTSSPPARG
SCHEMBL9606657 0.83 CA2 (0.38) KLK7KLK5CTSSSYK
SCHEMBL2727520 0.82 TMEM97 (0.40) PPARAKLK7KLK5CTSSPPARG
SCHEMBL212941 0.82 TMEM97 (0.40) PPARAKLK7KLK5CTSSPPARG
SCHEMBL18407225 0.81 PPARA (0.69) PPARAKLK7KLK5CTSSPPARG
SCHEMBL13942954 0.81 PLA2G2C (0.37) CTSS
SCHEMBL3740165 0.79 PPARA (0.52) PPARAKLK7KLK5CTSSPPARG
SCHEMBL212185 0.79 PPARA (0.48) PPARAKLK7KLK5CTSSPPARG
SCHEMBL28784588 0.79 TMEM97 (0.42) PPARAKLK7KLK5CTSSTMEM97
SCHEMBL27810811 0.79 TMEM97 (0.40) PPARAKLK7KLK5CTSSPPARG

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

“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.