SCHEMBL3532872

SCHEMBL3532872

COC(=O)CCCN(C(=O)OC(C)(C)C)c1cc(Cl)ccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ABL1 P00519 1/20 0.40
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
FDFT1 P37268 1/20 0.39
NR4A2 P43354 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ATR Q13535 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
CSNK2A1 P68400 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29835191 0.84 ABL1 (0.46) MAPTABL1POLBMCOLN3NR4A2
SCHEMBL21865558 0.83 ABL1 (0.40) ABL1POLBMCOLN3NR4A2CYP1A2
SCHEMBL3533762 0.79 CFTR (0.42) MAPTRXFP1ALDH1A1KMT2A
SCHEMBL3538678 0.76 APP (0.34) CSNK2A1
SCHEMBL3530484 0.73 MLYCD (0.36) POLBCSNK2A1KMT2A
SCHEMBL13737598 0.73 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL28371791 0.72 CYP3A4 (0.44) MCOLN3CYP3A4ALDH1A1PKMKMT2A
SCHEMBL3530650 0.72 NR4A2 (0.37) NR4A2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8921761 0.71 MAPT (0.45) MAPTABL1POLBMCOLN3NR4A2
SCHEMBL21865570 0.71 AHCY (0.40) MCOLN3CYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 MAPT 4605/4885ABL1 2540/4885POLB 3469/4885

“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.