SCHEMBL5168562

SCHEMBL5168562

C[C@H](CCc1cccs1)C(O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.51
CTSS P25774 3/20 0.51
CTSL P07711 1/20 0.44
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.40
ADAM17 P78536 3/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27962248 0.80 CTSK (0.53) CTSKCTSSCTSLPOLBRAB9A
SCHEMBL5168961 0.78 CTSK (0.52) CTSKCTSSCTSLPOLBRAB9A
SCHEMBL27538470 0.78 CTSK (0.45) CTSKCTSSPOLBRAB9AADAM17
SCHEMBL27516161 0.78 CTSK (0.45) CTSKCTSSPOLBRAB9AADAM17
SCHEMBL13932831 0.76 CTSK (0.60) CTSKCTSSCTSLRAB9A
SCHEMBL21939465 0.76 CTSK (0.51) CTSKCTSSCTSLPOLBRAB9A
SCHEMBL6184762 0.75 NPC1 (0.56) CTSKCTSSRAB9AADAM17ALDH1A1
SCHEMBL21985765 0.75 CTSK (0.55) CTSKCTSSCTSLRAB9AALDH1A1
SCHEMBL11021058 0.74 CTSK (0.61) CTSKCTSSCTSLRAB9AALDH1A1
SCHEMBL844317 0.73 CTSK (0.73) CTSKCTSSCTSLRAB9A

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.