SCHEMBL5632899

SCHEMBL5632899

CCCCN(CCCOc1ccc2[nH]cc(CC(=O)O)c2c1)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HTR1A P08908 6/20 0.44
HTR1D P28221 6/20 0.44
HTR1B P28222 6/20 0.44
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
CCKBR P32239 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5632905 0.83 PPARD (0.51) PPARDPPARGPPARAKDM4EMTNR1A
SCHEMBL5631991 0.83 PPARA (0.51) PPARDPPARGPPARA
SCHEMBL5632565 0.82 PPARG (0.52) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL5702356 0.82 PPARD (0.58) PPARDPPARGPPARAATP4AATP4B
SCHEMBL5631267 0.80 PPARG (0.52) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL12721122 0.80 KDM4E (0.71) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL2429146 0.78 KDM4E (0.68) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL23701772 0.77 HTR1B (0.67) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL14422792 0.76 PPARD (0.52) PPARDPPARGPPARAKDM4EHTR1A
SCHEMBL15747702 0.75 KDM4E (0.71) PPARDPPARGPPARAKDM4EHTR1A

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.