SCHEMBL5165250

SCHEMBL5165250

C[C@H](CCc1ccc(C#CCCOCc2ccccc2)s1)C(N)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
CYP2C19 P33261 1/20 0.32
XIAP P98170 1/20 0.31
PTGER4 P35408 2/20 0.30
KMT2A Q03164 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
Oxalic Acid SCHEMBL5170460 0.96 DPP4 (0.39) DPP4CYP2C19XIAPPTGER4KMT2A
SCHEMBL5167526 0.87 GRM5 (0.38) DPP4PTGER4
SCHEMBL5167372 0.85 GRM5 (0.40) PTGER4
Oxalic Acid SCHEMBL5168183 0.83 PTGER4 (0.38) DPP4PTGER4
Oxalic Acid SCHEMBL6765105 0.82 DPP4 (0.40) DPP4PTGER4
Oxalic Acid SCHEMBL5168940 0.81 PTGER4 (0.38) PTGER4
SCHEMBL6765101 0.81 DPP4 (0.42) DPP4
SCHEMBL6765094 0.79 DPP4 (0.41) DPP4
SCHEMBL5166935 0.77 DPP4 (0.37) DPP4KMT2A
Fumaric Acid SCHEMBL5167568 0.76 L3MBTL1 (0.37) CYP2C19KMT2A

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 4088/4885CYP2C19 1228/4885XIAP 2517/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885CYP2C19 1228/4885XIAP 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.