SCHEMBL3534733

SCHEMBL3534733

O=C(O)COc1ccc(SCCCc2ccc3c(c2)Cc2cc(CCCSc4ccc(OCC(=O)O)cc4)ccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.48
PLA2G2A P14555 1/20 0.47
PLA2G4A P47712 1/20 0.47
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 2/20 0.40
MCL1 Q07820 1/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39
FFAR4 Q5NUL3 6/20 0.39
PPARD Q03181 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3537320 0.84 PPARD (0.52) PPARAPPARD
SCHEMBL3534691 0.80 PPARD (0.47) PPARAPPARD
SCHEMBL7782746 0.75 PLA2G4B (0.76) PLA2G4BPLA2G2APLA2G4AALOX15FFAR1
SCHEMBL3534535 0.75 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3534613 0.74 PPARD (0.41) ALOX15TSHRPPARAPPARGPPARD
SCHEMBL1115123 0.72 CYP1A2 (0.56) PLA2G2ATSHRHSD17B10FFAR1FFAR4
SCHEMBL4266126 0.71 ALDH1A1 (0.59) PLA2G4BPLA2G2APLA2G4AALOX15MAPT
SCHEMBL14124716 0.69 ALOX15 (0.59) ALOX15TSHRHSD17B10FFAR1LMNA
SCHEMBL3530204 0.68 PPARD (0.43) PLA2G4BPLA2G2APLA2G4ATSHRMCL1
SCHEMBL3531822 0.68 PPARA (0.60) PPARAPPARGPPARD

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 PLA2G4B 1899/4885PLA2G2A 1883/4885PLA2G4A 1772/4885

“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.