SCHEMBL5633739

SCHEMBL5633739

O=C(O)c1nc2ccccc2nc1OCCCN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.49
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.49
CACNA1B Q00975 5/20 0.42
CACNA1H O95180 3/20 0.42
POLQ O75417 3/20 0.36

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
SCHEMBL5633753 0.87 PPARD (0.64) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5633108 0.85 PPARD (0.48) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5632802 0.84 PPARD (0.51) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5633706 0.84 POLQ (0.48) PPARDPPARGPPARAPOLQ
SCHEMBL5632275 0.83 POLQ (0.39) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL6313960 0.83 PPARD (0.54) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5675367 0.82 PPARD (0.45) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL14422850 0.82 PPARA (0.48) PPARDPPARGPPARA
SCHEMBL5632905 0.79 PPARD (0.51) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5632025 0.78 PPARD (0.50) PPARDPPARG

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 PPARD 3/4885PPARG 1/4885PPARA 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.