SCHEMBL5168968

SCHEMBL5168968

CCCCCC(=O)OC[C@H](C)CC(NC(=O)OC(C)(C)C)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.43
REN P00797 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35

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
SCHEMBL5168568 0.80 CTSK (0.43) CTSKRENCTSSCTSLMAPT
SCHEMBL5168990 0.80 CTSK (0.34) CTSKMAPTTSHRHRH2HRH1
SCHEMBL10376679 0.74 CTSK (0.47) CTSKRENCTSSCTSL
SCHEMBL10376680 0.74 CTSK (0.47) CTSKRENCTSSCTSL
SCHEMBL18511282 0.73 REN (0.46) CTSKRENCTSSCTSLMAPT
SCHEMBL5166661 0.72 CTSK (0.38) CTSKCTSSMAPTTSHR
SCHEMBL21714671 0.72 CTSK (0.47) CTSKRENCTSSCTSLMAPT
SCHEMBL6753883 0.72 CTSK (0.46) CTSKRENCTSSCTSLMAPT
SCHEMBL6649258 0.72 CTSK (0.48) CTSKRENCTSSCTSL
SCHEMBL10377812 0.71 CTSK (0.46) CTSKCTSSCTSLMAPTTSHR

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 4419/4885REN 321/4885CTSS 3968/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSK 4419/4885REN 321/4885CTSS 3968/4885

“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.