SCHEMBL5170465

SCHEMBL5170465

C[C@@H](COC(=O)C(=O)OC[C@H](C)CC(N)c1ccc(C#CCCOCc2ccccc2)s1)CC(N)c1ccc(C#CCCOCc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
SLC1A1 P43005 3/20 0.35
XIAP P98170 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC15A1 P46059 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
SCHEMBL5165257 0.88 DPP4 (0.33) DPP4SLC1A1XIAPKMT2A
SCHEMBL5168187 0.88 FFAR1 (0.36) DPP4SMN1; SMN2
SCHEMBL6765101 0.82 DPP4 (0.42) DPP4CTSLCTSSCTSKSMN1; SMN2
SCHEMBL6765094 0.78 DPP4 (0.41) DPP4SMN1; SMN2HTTALDH1A1
SCHEMBL5167532 0.74 TRPA1 (0.35)
SCHEMBL6767647 0.73 ALDH1A1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5167563 0.72 HCAR2 (0.36) SLC1A1XIAPMEN1KMT2A
SCHEMBL6305328 0.72 ALOX5 (0.38)
Oxalic Acid SCHEMBL5170460 0.71 DPP4 (0.39) DPP4SLC1A1XIAPSLC1A3SLC1A2
Oxalic Acid SCHEMBL6765105 0.71 DPP4 (0.40) DPP4SMN1; SMN2HTTALDH1A1

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 DPP4 4088/4885SLC1A1 137/4885XIAP 2517/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885SLC1A1 137/4885XIAP 2517/4885

“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.