SCHEMBL5166257

SCHEMBL5166257

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.34
CHRM3 P20309 2/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CASR P41180 2/20 0.31
CALM1 P0DP23 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ATM Q13315 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL5165169 0.90 DPP4 (0.35) DPP4CHRM3
SCHEMBL5179483 0.90 HDAC4 (0.38) HDAC4HDAC6L3MBTL1TDP1IDO1
SCHEMBL6305599 0.89 ALOX5 (0.39) DPP4CHRM3
SCHEMBL5165998 0.89 DPP4 (0.35) L3MBTL1DPP4CHRM3MEN1KMT2A
SCHEMBL386246 0.89 KDM4E (0.38) L3MBTL1DPP4
SCHEMBL5166740 0.89 TAAR1 (0.35) HDAC4HDAC6CASRCALM1MEN1
SCHEMBL5167586 0.89 LMNA (0.39) DPP4CHRM3IDO1AGXTATM
SCHEMBL5167538 0.88 DPP4 (0.36) DPP4MEN1KMT2AATM
SCHEMBL5167278 0.87 DPP4 (0.34) DPP4IDO1KMT2A
SCHEMBL386263 0.87 CALM1 (0.36) CALM1TRPV1

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 HDAC4 2271/4885HDAC6 3933/4885L3MBTL1 1321/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HDAC4 2271/4885HDAC6 3933/4885L3MBTL1 1321/4885

“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.