SCHEMBL2026435

SCHEMBL2026435

COc1cccc(C[C@H](CC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
CYP1A2 P05177 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC7A5 Q01650 1/20 0.45
FOLH1 Q04609 2/20 0.45
CACNA1B Q00975 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTBP2 P56545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CPA1 P15085 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
SCHEMBL2026436 1.00 PPARA (0.48) PPARACYP1A2TAAR1SLC7A5FOLH1
SCHEMBL30191445 0.88 SLC7A5 (0.44) PPARASLC7A5FOLH1CPA1
SCHEMBL30191279 0.87 SLC7A5 (0.46) PPARASLC7A5FOLH1CPA1
SCHEMBL1914904 0.84 LDHA (0.56) PPARAKMT2A
SCHEMBL1914901 0.84 LDHA (0.56) PPARAKMT2A
SCHEMBL1915766 0.84 CPA1 (0.60) CYP1A2FOLH1CPA1
SCHEMBL1704913 0.84 CPA1 (0.60) CYP1A2FOLH1CPA1
SCHEMBL1704171 0.84 CPA1 (0.60) CYP1A2FOLH1CPA1
SCHEMBL1915659 0.84 CTSL (0.51) PPARACYP1A2SLC7A5FOLH1CPA1
SCHEMBL1915348 0.84 CTSS (0.51) PPARACYP1A2SLC7A5FOLH1CPA1

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 4 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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 PPARA 321/4885CYP1A2 180/4885TAAR1 2739/4885

“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.