SCHEMBL3534417

SCHEMBL3534417

CCOC(=O)CCCN(C(=O)OC(C)C)c1cccc(F)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.38
NPC1 O15118 2/20 0.38
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
BDKRB1 P46663 3/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.32
MLYCD O95822 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3535191 0.90 USP2 (0.38) NLRP3NPC1ALOX5SMN1; SMN2USP2
SCHEMBL3530598 0.78 MLYCD (0.38) MLYCDALDH1A1
SCHEMBL7309325 0.78 ALDH1A1 (0.38) NLRP3NPC1SMN1; SMN2BDKRB1HSD17B10
SCHEMBL4770863 0.77 L3MBTL1 (0.35) ALOX5SMN1; SMN2
SCHEMBL3537718 0.72 ALOX5 (0.34) ALOX5SMN1; SMN2USP2HSD17B10KDM4E
SCHEMBL4765946 0.72 CYP1A2 (0.33) ALOX5CYP3A4CYP2C19
SCHEMBL4768305 0.67 MLYCD (0.34) MLYCD
SCHEMBL28557392 0.66 SMN1; SMN2 (0.63) NPC1ALOX5SMN1; SMN2RAB9ACYP3A4
SCHEMBL28288493 0.65 CYP4F2 (0.51) NLRP3NPC1ALOX5SMN1; SMN2KDM4E
SCHEMBL14571482 0.65 NLRP3 (0.50) NLRP3NPC1SMN1; SMN2KDM4ERAB9A

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 NLRP3 4458/4885NPC1 7/4885ALOX5 964/4885

“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.