SCHEMBL5166794

SCHEMBL5166794

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 8/20 0.34
CTSS P25774 5/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
BTK Q06187 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
MIF P14174 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28824278 0.82 CTSK (0.37) MEN1GAAKMT2ACTSKCTSS
SCHEMBL28824277 0.82 CTSK (0.37) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3926929 0.78 TDP1 (0.36) MEN1GAAKMT2ACTSKTDP1
SCHEMBL5169113 0.75 CTSK (0.37) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6855613 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6849865 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6855617 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6858055 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6849913 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6853698 0.74 CTSS (0.43) CTSKCTSSCTSLCTSB

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 MEN1 1906/4885GAA 4794/4885KMT2A 1760/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MEN1 1906/4885GAA 4794/4885KMT2A 1760/4885

“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.