SCHEMBL3537718

SCHEMBL3537718

CCOC(=O)CCCN(C(=O)OC(C)C)c1c(C(=O)OC)ccc(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
TNF P01375 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL2478961 0.81 MAPT (0.35) ALOX5KDM4EUSP2HSD17B10KMT2A
SCHEMBL3535191 0.73 USP2 (0.38) ALOX5SMN1; SMN2ALDH1A1USP2HSD17B10
SCHEMBL3530650 0.73 NR4A2 (0.37) ALDH1A1KDM4EHSD17B10CYP3A4CYP2C19
SCHEMBL3534417 0.72 NLRP3 (0.38) ALOX5SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL4765946 0.72 CYP1A2 (0.33) ALOX5TNFSTING1CYP3A4CYP2C19
SCHEMBL4770863 0.71 L3MBTL1 (0.35) ALOX5TNFSMN1; SMN2L3MBTL1
SCHEMBL2472493 0.71 NR4A2 (0.37) SMN1; SMN2ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL3535482 0.69 CA12 (0.35) L3MBTL1MAPT
SCHEMBL2472495 0.69 KDM4E (0.33) SMN1; SMN2ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL4768305 0.67 MLYCD (0.34)

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-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (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 ALOX5 964/4885TNF 3377/4885SMN1; SMN2 2770/4885

“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.