SCHEMBL3539140

SCHEMBL3539140

CN(CCSc1ccc(OCC(=O)O)cc1)c1cccc(CNCCSc2ccc(OCC(=O)O)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTPN7 P35236 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN12 Q05209 1/20 0.36
PPARD Q03181 4/20 0.36
MCL1 Q07820 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
ADRB3 P13945 2/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL3539146 0.87 FFAR1 (0.43) NPC1USP2MEN1ALDH1A1MAPT
SCHEMBL3532533 0.85 MTNR1A (0.33) NPC1ALDH1A1MAPTCYP1A2MTNR1A
SCHEMBL3532519 0.80 PRKAG1 (0.34) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3537285 0.75 PPARA (0.39) PPARDPPARGPPARA
SCHEMBL3535062 0.72 PPARG (0.56) MEN1MAPTKMT2APPARDPPARG
SCHEMBL3532536 0.70 SLC6A4 (0.39) ALDH1A1
SCHEMBL3542196 0.68 PPARG (0.56) PPARDPPARGPPARA
SCHEMBL3534804 0.68 PPARG (0.56) PPARDPPARGPPARA
SCHEMBL3538789 0.65 LTB4R (0.45) PPARDPPARGPPARA
SCHEMBL7921068 0.64 TBXA2R (0.67) NPC1USP2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP claimed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US claimed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO claimed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD NPC1 721/4885USP2 3816/4885DRD2 2683/4885

“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.