SCHEMBL3522579

SCHEMBL3522579

Cc1oc(-c2ccccc2)nc1COc1cccc(C(C)(C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.65
FFAR1 O14842 1/20 0.57
MAPT P10636 3/20 0.54
PPARG P37231 12/20 0.54
PPARA Q07869 12/20 0.54
PPARD Q03181 3/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL3523699 0.91 KDR (0.61) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4394279 0.91 PPARA (0.66) PPARGPPARAPPARD
SCHEMBL27650832 0.84 KDR (0.54) KDRFFAR1MAPTPPARGPPARA
SCHEMBL5738898 0.84 PPARA (0.66) KDRFFAR1MAPTPPARGPPARA
SCHEMBL3528719 0.84 KDR (0.76) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4391433 0.82 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL3523858 0.81 KDR (0.51) KDRFFAR1MAPTPPARGPPARA
SCHEMBL3523856 0.81 KDR (0.51) KDRFFAR1MAPTPPARGPPARA
SCHEMBL8547074 0.81 KDR (0.69) KDRFFAR1MAPTPPARGPPARA
SCHEMBL3527831 0.81 KDR (0.69) KDRFFAR1MAPTPPARGPPARA

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
US-7652061-B2 N-acyl nitrogen heterocycles as ligands of peroxisome proliferator-activated receptors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors NOVARTIS AG (CH) 2006-06-22 US disclosed
EP-1638963-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS Novartis AG (CH) 2006-03-29 EP disclosed
WO-2004103995-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2004-12-02 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-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors PPARG, PPARA, PPARD KDR 838/4885FFAR1 7/4885MAPT 3539/4885

“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.