SCHEMBL5434600

SCHEMBL5434600

CCC(C(=O)O)N(Cc1ccccc1)Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.63
PPARA Q07869 6/20 0.63
PPARD Q03181 2/20 0.45
CACNA1B Q00975 3/20 0.41
CACNA1H O95180 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMPD1 P17405 1/20 0.39
EPOR P19235 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
P2RX4 Q99571 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5440285 0.91 PPARA (0.53) PPARGPPARAPPARDKMT2AEPOR
SCHEMBL5440280 0.84 PPARA (0.57) PPARGPPARAPPARDCACNA1BCACNA1H
SCHEMBL5431848 0.80 PPARA (0.58) PPARGPPARAPPARDCACNA1BCACNA1H
SCHEMBL7514537 0.80 PPARG (0.74) PPARGPPARAPPARDCACNA1BCACNA1H
SCHEMBL5440265 0.79 PPARG (0.64) PPARGPPARAPPARDCACNA1BCACNA1H
SCHEMBL6004633 0.78 PPARG (0.72) PPARGPPARAPPARDCACNA1BCACNA1H
SCHEMBL5345508 0.78 PPARG (0.72) PPARGPPARAPPARDCACNA1BCACNA1H
Ragaglitazar SCHEMBL29369224 0.78 PPARA (1.00) PPARGPPARAPPARD
Ragaglitazar SCHEMBL676872 0.78 PPARA (1.00) PPARGPPARAPPARD
Ragaglitazar SCHEMBL682732 0.78 PPARA (1.00) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 PPARG 615/4885PPARA 990/4885PPARD 492/4885

“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.