SCHEMBL2398906

SCHEMBL2398906

CC(C)(C)OC(=O)Nc1ccc(CC(Cl)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.55
PPARA Q07869 1/20 0.55
CYP17A1 P05093 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52
GLS O94925 1/20 0.46
ADAMTS4 O75173 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
DRD2 P14416 1/20 0.44
MAPK14 Q16539 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ATM Q13315 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL2403143 1.00 PPARG (0.55) PPARGPPARACYP17A1PTGDR2GLS
SCHEMBL2617177 0.83 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL2309189 0.83 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL21689917 0.83 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL24324458 0.82 CYP17A1 (0.57) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL10890972 0.82 ITGB3 (0.61) PPARGPPARACYP17A1ITGB3ITGA2B
SCHEMBL18181212 0.81 CYP17A1 (0.56) PPARGPPARACYP17A1PTGDR2GLS
SCHEMBL977842 0.81 PTGDR2 (0.60) PPARGPPARACYP17A1PTGDR2GLS
SCHEMBL27916490 0.80 CYP17A1 (0.54) PPARGPPARACYP17A1PTGDR2ITGB3
SCHEMBL408439 0.79 CYP17A1 (0.59) PPARGPPARACYP17A1PTGDR2GLS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-09-15 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 (2 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-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 PPARG 1761/4885PPARA 3027/4885CYP17A1 3546/4885
US-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 PPARG 1761/4885PPARA 3027/4885CYP17A1 3546/4885

“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.