SCHEMBL5167538

SCHEMBL5167538

COc1ccc(OCCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 3/20 0.34
S1PR1 P21453 6/20 0.32
S1PR4 O95977 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 4/20 0.32
PPARA Q07869 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 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
SCHEMBL6303074 0.93 DPP4 (0.36) DPP4
SCHEMBL384062 0.91 DPP4 (0.36) DPP4S1PR1S1PR4S1PR3S1PR5
SCHEMBL5169548 0.90 DPP4 (0.36) DPP4S1PR1S1PR4S1PR3S1PR5
SCHEMBL386338 0.90 DPP4 (0.36) DPP4S1PR1S1PR4S1PR3S1PR5
SCHEMBL5167788 0.90 DPP4 (0.37) DPP4ALDH1A1S1PR1S1PR4S1PR3
SCHEMBL5166351 0.90 NPSR1 (0.36) DPP4ALDH1A1ATMKDM4EMAPT
SCHEMBL5168910 0.89 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6305276 0.89 DPP4 (0.34) DPP4
SCHEMBL5168257 0.89 PPARA (0.35) DPP4ALDH1A1S1PR1S1PR4S1PR3
SCHEMBL5168801 0.89 DPP4 (0.35) DPP4S1PR1S1PR4S1PR3S1PR5

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 4088/4885ALDH1A1 129/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885ALDH1A1 129/4885S1PR1 1542/4885

“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.