SCHEMBL3533911

SCHEMBL3533911

CCOC(=O)Cc1ccc(OCCNCc2cccc(N(C)CCOc3ccc(CC(=O)OCC)cc3Cl)n2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
PPARG P37231 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB3 P13945 2/20 0.35
MCHR1 Q99705 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
CHEK1 O14757 1/20 0.34
PPARD Q03181 1/20 0.34
LTA4H P09960 1/20 0.34
ATM Q13315 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
SCHEMBL3538789 0.90 LTB4R (0.45) LTB4RLTB4R2PPARGPOLBKDM4E
SCHEMBL3533913 0.88 LTB4R (0.43) LTB4RLTB4R2PPARGKDM4EMCHR1
SCHEMBL3532369 0.86 CYP2D6 (0.41) KDM4ELTA4H
SCHEMBL3539135 0.85 LTB4R (0.49) LTB4RLTB4R2PPARGKDM4EMCHR1
SCHEMBL3538793 0.77 LTB4R (0.53) LTB4RLTB4R2PPARGKDM4EPPARD
SCHEMBL3535835 0.73 PPARG (0.47) PPARGADRB3PPARDLTA4H
SCHEMBL14262526 0.73 KDM4E (0.50) PPARGS1PR2S1PR1S1PR3LPAR2
SCHEMBL3532371 0.73 MAPK1 (0.48) LTB4RLTB4R2PPARGLTA4H
SCHEMBL3542196 0.71 PPARG (0.56) PPARGPPARD
SCHEMBL5144289 0.71 ATM (0.58) LTB4RLTB4R2PPARGS1PR2S1PR1

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 LTB4R 1215/4885LTB4R2 1004/4885PPARG 1/4885

“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.