SCHEMBL1915234

SCHEMBL1915234

COC(=O)CC[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.68
CYP1A2 P05177 1/20 0.59
FOLH1 Q04609 5/20 0.55
CPA1 P15085 2/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SLC1A1 P43005 1/20 0.51

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
SCHEMBL1915237 1.00 CPA3 (0.68) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL1915616 1.00 CPA3 (0.68) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL8700502 0.86 CA12 (0.51) CPA3CYP1A2FOLH1SLC1A1
SCHEMBL9574107 0.83 CPA1 (0.66) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL7505398 0.83 CPA1 (0.66) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL23552019 0.82 ALDH1A1 (0.50) CPA3
SCHEMBL12493936 0.82 CYP1A2 (0.61) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL7933675 0.82 ALDH1A1 (0.50) CPA3
SCHEMBL3963424 0.81 CPA3 (1.00) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL29088272 0.81 CPA3 (1.00) CPA3CYP1A2FOLH1CPA1CPB1

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 5 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-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
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 CPA3 739/4885CYP1A2 180/4885FOLH1 1012/4885

“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.