SCHEMBL5167563

SCHEMBL5167563

C[C@@H](COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c1ccc(CCCCOCc2ccccc2)s1)CC(N)c1ccc(CCCCOCc2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALOX5 P09917 1/20 0.34
NAAA Q02083 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
XIAP P98170 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
SCHEMBL6775342 0.84 HCAR2 (0.40) HCAR2L3MBTL1TDP1ALOX5NAAA
SCHEMBL6775335 0.82 HCAR2 (0.45) HCAR2L3MBTL1TDP1NAAAAKR1B10
SCHEMBL6303091 0.81 LNPEP (0.31)
SCHEMBL6305328 0.80 ALOX5 (0.38) ALOX5NAAALMNAMAPT
SCHEMBL6310339 0.78 MEN1 (0.37) L3MBTL1MEN1MAPTKMT2A
Maleic Acid SCHEMBL5167559 0.72 L3MBTL1 (0.37) HCAR2L3MBTL1TDP1SPHK1LMNA
Fumaric Acid SCHEMBL5167568 0.72 L3MBTL1 (0.37) HCAR2L3MBTL1TDP1SPHK1LMNA
SCHEMBL5170465 0.72 DPP4 (0.37) SLC1A1MEN1KMT2AXIAP
Fumaric Acid SCHEMBL6775343 0.71 L3MBTL1 (0.39) HCAR2L3MBTL1TDP1NAAAMEN1
SCHEMBL6306485 0.68 CES1 (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HCAR2 380/4885L3MBTL1 1321/4885TDP1 3661/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HCAR2 380/4885L3MBTL1 1321/4885TDP1 3661/4885

“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.