SCHEMBL5632042

SCHEMBL5632042

CCc1cnc(N(CCCO)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 9/20 0.39
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
GPR52 Q9Y2T5 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL14422830 0.80 PPARD (0.39) POLQPPARGPPARDPPARANR1H2
SCHEMBL5471829 0.79 PPARG (0.49) POLQPPARGPPARDPPARAMEN1
SCHEMBL5632047 0.79 PPARG (0.40) POLQPPARGPPARDPPARAPTGDR2
SCHEMBL5702282 0.79 BCHE (0.41) POLQPPARGPPARDPPARANR1H2
SCHEMBL4575324 0.79 PPARA (0.52) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5632863 0.79 MRGPRX4 (0.40) POLQPPARGPPARDPPARA
SCHEMBL5702285 0.79 PPARD (0.40) POLQPPARGPPARDPPARAPTGDR2
SCHEMBL5702294 0.77 CXCR2 (0.41) POLQPPARGPPARDPPARAPTGDR2
SCHEMBL14422851 0.76 PPARD (0.38) POLQPPARGPPARDPPARAPTGDR2
SCHEMBL5674356 0.76 POLQ (0.55) POLQPPARGPPARDPPARAPTGDR2

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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
EP-1613326-B1 (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO]-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS INC (US) 2006-09-13 EP disclosed
EP-1613326-A1 (3-{3-´(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-01-11 EP disclosed
US-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders KALYPSYS, INC. 2005-03-31 US disclosed
WO-2004093879-A1 (3-{3-‘(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-11-04 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 (2 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-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders PPARG, PPARA, PPARD POLQ 2463/4885PPARG 1/4885PPARD 3/4885
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD POLQ 1293/4885PPARG 1/4885PPARD 3/4885

“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.