SCHEMBL2836398

SCHEMBL2836398

CC(c1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
PRCP P42785 6/20 0.46
S1PR3 Q99500 1/20 0.43
P2RY2 P41231 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 1/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
CACNA1B Q00975 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
SCHEMBL2573117 0.87 CTSK (0.45) TRPA1PPARGPPARACTSSCTSK
SCHEMBL3414715 0.87 CTSK (0.51) PPARGPPARAMAPTCTSSCTSK
SCHEMBL3379781 0.87 CTSK (0.51) PPARGPPARAMAPTCTSSCTSK
SCHEMBL4116995 0.87 CTSK (0.51) PPARGPPARAMAPTCTSSCTSK
SCHEMBL14250689 0.87 CTSK (0.51) PPARGPPARAMAPTCTSSCTSK
SCHEMBL844407 0.87 CTSK (0.51) PPARGPPARAMAPTCTSSCTSK
SCHEMBL3824377 0.86 TRPA1 (0.49) TRPA1PPARGPPARAPRCPS1PR3
SCHEMBL22303774 0.86 CTSK (0.41) TRPA1PPARGPPARACTSSCTSK
SCHEMBL2436816 0.86 CTSS (0.46) TRPA1ALDH1A1MAPTCTSSCTSK
SCHEMBL4683822 0.86 CTSK (0.46) TRPA1ALDH1A1CTSSCTSK

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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 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 (1 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP TRPA1 2840/4885PPARG 181/4885PPARA 114/4885

“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.