SCHEMBL4692489

SCHEMBL4692489

CCn1nc(C(=O)O)cc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 5/20 0.60
PPARG P37231 7/20 0.55
PPARA Q07869 5/20 0.55
NR1H4 Q96RI1 1/20 0.48
PTGER1 P34995 1/20 0.44
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 1/20 0.43
PPARD Q03181 1/20 0.43
RPA1 P27694 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4692553 0.85 MARS1 (0.62) MARS1PPARGPPARAMDM2PPARD
SCHEMBL4692592 0.84 PPARG (0.58) MARS1PPARGPPARANR1H4PTGER1
SCHEMBL4692597 0.84 FAAH (0.57) MARS1PPARGPPARAPPARDNPC1
SCHEMBL1738076 0.84 MARS1 (0.64) MARS1BCL2MDM2MCL1RPA1
SCHEMBL4690961 0.83 PPARG (0.60) MARS1PPARGPPARANR1H4PTGER1
SCHEMBL1738072 0.83 MARS1 (0.63) MARS1BCL2MDM2MCL1
SCHEMBL4688189 0.81 NR1H4 (0.61) MARS1PPARGPPARANR1H4RPA1
SCHEMBL1739427 0.81 MARS1 (0.60) MARS1BCL2MDM2MCL1RPA1
SCHEMBL23401862 0.80 PPARG (0.43) MARS1PPARGPPARANR1H4PPARD
SCHEMBL117705 0.76 MARS1 (1.00) MARS1RPA1SMN1; SMN2

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
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG MARS1 1717/4885PPARG 3/4885PPARA 2/4885

“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.