SCHEMBL5168961

SCHEMBL5168961

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.52
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5168987 0.80 CTSK (0.36) CTSK
SCHEMBL5166650 0.79 CTSK (0.43) CTSKCTSSCTSLSMN1; SMN2MAPT
SCHEMBL5168562 0.78 CTSK (0.51) CTSKCTSSCTSLALDH1A1POLB
SCHEMBL5165596 0.77 MAPT (0.47) CTSKCTSSALDH1A1MAPT
SCHEMBL7281877 0.75 CTSK (0.67) CTSKCTSSCTSL
SCHEMBL7281886 0.75 CTSK (0.67) CTSKCTSSCTSL
SCHEMBL5166030 0.73 LMNA (0.48) CTSKMAPT
SCHEMBL27962248 0.73 CTSK (0.53) CTSKCTSSCTSLALDH1A1POLB
SCHEMBL5166176 0.72 POLB (0.43) CTSKALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL5166183 0.72 POLB (0.43) CTSKALDH1A1SMN1; SMN2POLBTSHR

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.