SCHEMBL4692575

SCHEMBL4692575

CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1CCOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.56
PPARA Q07869 5/20 0.56
PPARD Q03181 4/20 0.56
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
FAAH O00519 2/20 0.45
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL4688975 0.87 SMN1; SMN2 (0.58) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL4694870 0.86 PPARG (0.59) PPARGPPARAPPARDPOLBMAPT
SCHEMBL4688300 0.84 SMN1; SMN2 (0.64) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL4692482 0.83 MAPT (0.56) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL4693223 0.82 PPARG (0.55) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL14144797 0.81 SMN1; SMN2 (0.81) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL4692571 0.80 PPARG (0.57) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL4691443 0.80 POLB (0.58) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL4681188 0.80 POLB (0.55) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL718675 0.77 SMN1; SMN2 (0.57) PPARGPPARAPPARDPOLBSMN1; 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 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.