SCHEMBL4692297

SCHEMBL4692297

C=CCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
PPARA Q07869 6/20 0.57
PPARD Q03181 5/20 0.57
ALDH1A1 P00352 1/20 0.45
NR1H4 Q96RI1 3/20 0.43
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
MARS1 P56192 1/20 0.39
LMNA P02545 1/20 0.39
ALPG P10696 1/20 0.39
PHGDH O43175 1/20 0.38

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
SCHEMBL4693223 0.85 PPARG (0.55) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL4692309 0.84 PPARG (0.54) PPARGPPARAPPARDNR1H4MAPT
SCHEMBL4689814 0.80 GRN (0.64) MAPTNPSR1GRNSORT1MARS1
SCHEMBL4694870 0.79 PPARG (0.59) PPARGPPARAPPARDNR1H4MAPT
SCHEMBL4689445 0.78 GRN (0.66) PPARGPPARAPPARDNR1H4MAPT
SCHEMBL2333453 0.78 POLB (0.53) PPARGPPARAPPARDNR1H4MAPT
SCHEMBL4692592 0.78 PPARG (0.58) PPARGPPARAPPARDALDH1A1NR1H4
SCHEMBL28767211 0.78 GRN (0.61) MAPTXBP1NPSR1GRNSORT1
SCHEMBL4310512 0.77 GRN (0.59) ALDH1A1MAPTNPSR1GRNSORT1
SCHEMBL4688310 0.77 KDM4E (0.55) PPARGPPARAPPARDNR1H4MAPT

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 2/4885PPARD 1/4885

“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.