SCHEMBL5383259

SCHEMBL5383259

CO[C@@H](Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.50
GRIA2 P42262 1/20 0.50
FFAR1 O14842 1/20 0.48
PPARG P37231 10/20 0.48
PPARA Q07869 9/20 0.48
PPARD Q03181 4/20 0.48
SLC7A5 Q01650 2/20 0.44
SPR P35270 1/20 0.44

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
SCHEMBL5360127 0.86 NLRP3 (0.49) GRIA2SPR
SCHEMBL4348224 0.84 GRIA2 (0.48) SRRGRIA2PPARGPPARAPPARD
SCHEMBL2866290 0.84 GRIA2 (0.48) SRRGRIA2PPARGPPARAPPARD
SCHEMBL22264856 0.84 PPARG (0.56) SRRFFAR1PPARGPPARAPPARD
SCHEMBL22264858 0.84 PPARG (0.56) SRRFFAR1PPARGPPARAPPARD
SCHEMBL31321016 0.84 PPARG (0.56) SRRFFAR1PPARGPPARAPPARD
SCHEMBL5989805 0.83 NLRP3 (0.42) GRIA2FFAR1PPARGPPARASPR
SCHEMBL9628212 0.83 SRR (0.70) SRRPPARGPPARAPPARD
SCHEMBL2517934 0.83 SRR (0.70) SRRPPARGPPARAPPARD
SCHEMBL16877217 0.83 SRR (0.70) SRRPPARGPPARAPPARD

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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 (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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA SRR 398/4885GRIA2 758/4885FFAR1 59/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA SRR 422/4885GRIA2 823/4885FFAR1 55/4885

“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.