SCHEMBL5427770

SCHEMBL5427770

CCC(C(=O)O)N(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 5/20 0.43
PPARA Q07869 4/20 0.43
BCHE P06276 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL5440280 0.89 PPARA (0.57) SMPD1PPARGPPARA
SCHEMBL5426375 0.84 MAPT (0.47) TP53MAPK1PPARGPPARAMAPT
SCHEMBL5423669 0.84 PPARA (0.54) SMPD1KDM4ETP53MAPK1PPARG
SCHEMBL5431844 0.82 PPARG (0.44) SMPD1TP53MAPK1PPARGPPARA
SCHEMBL6505582 0.81 PPARG (0.54) SMPD1TP53PPARGPPARABACE1
SCHEMBL5438445 0.80 MAPT (0.46) KDM4EMAPK1PPARGMAPTALDH1A1
SCHEMBL5427774 0.79 PPARA (0.42) TP53PPARGPPARAMAPT
SCHEMBL5423631 0.79 SMN1; SMN2 (0.53) PPARGPPARAMAPTMEN1KMT2A
SCHEMBL5432386 0.78 POLB (0.51) KDM4EBCHEALDH1A1
SCHEMBL5458257 0.78 LMNA (0.43) MAPK1PPARGPPARAMAPTMEN1

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 SMPD1 387/4885KDM4E 4107/4885TP53 3745/4885

“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.