SCHEMBL5168568

SCHEMBL5168568

CC(CO)CC(NC(=O)OC(C)(C)C)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
CTSS P25774 4/20 0.43
CTSL P07711 1/20 0.39
REN P00797 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRB P23467 2/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
HTT P42858 2/20 0.36
JAK2 O60674 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10376679 0.89 CTSK (0.47) CTSKCTSSCTSLRENPTPRB
SCHEMBL10376680 0.89 CTSK (0.47) CTSKCTSSCTSLRENPTPRB
SCHEMBL6753883 0.84 CTSK (0.46) CTSKCTSSCTSLRENMAPT
SCHEMBL21714671 0.81 CTSK (0.47) CTSKCTSSCTSLRENMAPT
SCHEMBL6649258 0.81 CTSK (0.48) CTSKCTSSCTSLRENMEN1
SCHEMBL5168968 0.80 CTSK (0.43) CTSKCTSSCTSLRENMAPT
SCHEMBL18511282 0.80 REN (0.46) CTSKCTSSCTSLRENNPSR1
SCHEMBL6647750 0.80 CTSK (0.47) CTSKCTSSCTSLRENMAPT
SCHEMBL11166172 0.80 CTSK (0.47) CTSKCTSSCTSLRENMAPT
SCHEMBL11412683 0.80 CTSK (0.45) CTSKCTSSCTSLRENMAPT

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 CTSK 4419/4885CTSS 3968/4885CTSL 3802/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSK 4419/4885CTSS 3968/4885CTSL 3802/4885

“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.