SCHEMBL5632047

SCHEMBL5632047

CCc1cnc(N(CCCOc2cccc(C(=O)O)n2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
POLQ O75417 5/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
MAPT P10636 1/20 0.35
CACNA1B Q00975 2/20 0.34
SCN9A Q15858 2/20 0.34
CACNA1H O95180 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL14422851 0.87 PPARD (0.38) PPARGPPARDPPARAPOLQMRGPRX4
SCHEMBL5702285 0.85 PPARD (0.40) PPARGPPARDPPARAPOLQMRGPRX4
SCHEMBL5632275 0.83 POLQ (0.39) PPARGPPARDPPARAPOLQMRGPRX4
SCHEMBL5632125 0.82 POLQ (0.48) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5702282 0.82 BCHE (0.41) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5471829 0.82 PPARG (0.49) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL14422830 0.81 PPARD (0.39) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5702294 0.81 CXCR2 (0.41) PPARGPPARDPPARAPOLQCACNA1B
SCHEMBL5633108 0.81 PPARD (0.48) PPARGPPARDPPARAPOLQMRGPRX4
SCHEMBL5632863 0.80 MRGPRX4 (0.40) PPARGPPARDPPARAPOLQMRGPRX4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD PPARG 1/4885PPARD 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.