SCHEMBL4690961

SCHEMBL4690961

COCCn1nc(C(=O)O)cc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.60
PPARA Q07869 7/20 0.60
MARS1 P56192 4/20 0.46
NR1H4 Q96RI1 1/20 0.46
PPARD Q03181 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SMPD1 P17405 3/20 0.43
PTGER1 P34995 1/20 0.43

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
SCHEMBL4692571 0.86 PPARG (0.57) PPARGPPARAPPARDCNR1CNR2
SCHEMBL4692489 0.83 MARS1 (0.60) PPARGPPARAMARS1NR1H4PPARD
SCHEMBL4692553 0.80 MARS1 (0.62) PPARGPPARAMARS1PPARD
SCHEMBL4692592 0.79 PPARG (0.58) PPARGPPARAMARS1NR1H4PPARD
SCHEMBL4688189 0.79 NR1H4 (0.61) PPARGPPARAMARS1NR1H4
SCHEMBL4694870 0.78 PPARG (0.59) PPARGPPARANR1H4PPARDCNR1
SCHEMBL2565390 0.76 SMPD1 (0.55) PPARGPPARACNR1SMPD1
SCHEMBL4692597 0.72 FAAH (0.57) PPARGPPARAMARS1PPARD
SCHEMBL31459605 0.71 CNR1 (0.43) CNR1CNR2
SCHEMBL1739427 0.70 MARS1 (0.60) MARS1SMPD1

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 PPARG 3/4885PPARA 2/4885MARS1 1717/4885

“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.