SCHEMBL5166935

SCHEMBL5166935

C[C@H](CCc1ccc(C#CCCOc2ccc(F)cc2)s1)C(N)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
ALOX5 P09917 7/20 0.37
EPHX2 P34913 1/20 0.35
HRH1 P35367 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31

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
Maleic Acid SCHEMBL5166297 0.84 DPP4 (0.38) DPP4ALOX5MEN1KMT2A
Fumaric Acid SCHEMBL5166301 0.84 DPP4 (0.38) DPP4ALOX5MEN1KMT2A
SCHEMBL6306202 0.81 KDM4E (0.38) MEN1KMT2ARAB9A
SCHEMBL386338 0.78 DPP4 (0.36) DPP4ALOX5EPHX2RAB9A
SCHEMBL5165250 0.77 DPP4 (0.37) DPP4KMT2A
SCHEMBL5169576 0.76 MAPT (0.39) DPP4MEN1KMT2ARAB9A
SCHEMBL5167526 0.76 GRM5 (0.38) DPP4ALOX5
Hydrochloric Acid SCHEMBL6309122 0.76 MAPK1 (0.39) DPP4MEN1KMT2ARAB9A
SCHEMBL5168898 0.75 RAB9A (0.33) MEN1KMT2ARAB9A
Oxalic Acid SCHEMBL5167687 0.75 ALDH1A1 (0.49) DPP4MEN1KMT2ARAB9A

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
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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 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 4088/4885ALOX5 1064/4885EPHX2 2897/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885ALOX5 1064/4885EPHX2 2897/4885

“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.