SCHEMBL1916013

SCHEMBL1916013

CC(C)(C)OC(=O)CC(Cc1ccccc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CPA1 P15085 3/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
KMO O15229 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FOLH1 Q04609 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
SCHEMBL1916009 1.00 PPARG (0.46) PPARGPPARACNR1ALDH1A1CPA1
SCHEMBL27944387 0.86 PPARG (0.41) PPARGPPARACNR1ALDH1A1CPA1
SCHEMBL30192155 0.85 CTSS (0.49) PPARGPPARACPA1CPB1CPA3
SCHEMBL1914544 0.84 CYP1A2 (0.54) PPARAALDH1A1
SCHEMBL1914541 0.84 CYP1A2 (0.54) PPARAALDH1A1
SCHEMBL9740320 0.83 CTSS (0.51) ALDH1A1CPA1
SCHEMBL1704171 0.82 CPA1 (0.60) CPA1CPB1CPA3CPB2CA2
SCHEMBL1704913 0.82 CPA1 (0.60) CPA1CPB1CPA3CPB2CA2
SCHEMBL1915766 0.82 CPA1 (0.60) CPA1CPB1CPA3CPB2CA2
SCHEMBL1915404 0.82 PTPN1 (0.40) CPA1CPB1CPA3CPB2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC PPARG 132/4885PPARA 321/4885CNR1 841/4885

“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.