SCHEMBL2831374

SCHEMBL2831374

CCCCCC(C)(C(=O)O)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.35
FAAH O00519 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HCAR3 P49019 1/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DAGLA Q9Y4D2 2/20 0.33

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
SCHEMBL5735522 0.78 FAAH (0.42) GAAFAAHHCAR3
SCHEMBL28186562 0.76 SMN1; SMN2 (0.41) ALOX12HTTSMN1; SMN2LMNA
SCHEMBL28075985 0.76 GAA (0.45) GAAHTT
SCHEMBL28729149 0.75 GAA (0.44) GAAHTT
SCHEMBL29456058 0.75 GAA (0.44) GAAHTT
SCHEMBL28727534 0.75 GAA (0.44) GAAHTT
SCHEMBL3242856 0.75 GAA (0.44) GAAHTT
SCHEMBL29456136 0.75 GAA (0.44) GAAHTT
SCHEMBL6344599 0.75 GAA (0.44) GAAHTT
SCHEMBL20047833 0.74 TLR8 (0.35) ALOX12HTTSMN1; SMN2LMNATLR8

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-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG GAA 4251/4885ALOX12 1588/4885FAAH 2484/4885

“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.