SCHEMBL5169401

SCHEMBL5169401

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.37
CTSK P43235 9/20 0.37
BTK Q06187 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.33
TDP1 Q9NUW8 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

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
SCHEMBL2187338 0.78 NPC1 (0.36) CTSSCTSKBTKMEN1GAA
SCHEMBL24312282 0.76 L3MBTL1 (0.49) CTSSCTSKMEN1GAAKMT2A
SCHEMBL1429920 0.73 CTSS (0.38) CTSSCTSKBTKCTSLCTSB
SCHEMBL1429801 0.73 CTSS (0.38) CTSSCTSKBTKCTSLCTSB
SCHEMBL2512445 0.73 MEN1 (0.40) CTSSCTSKBTKCTSLCTSB
SCHEMBL76832 0.73 KDM4C (0.41) CTSSCTSKBTKCTSLCTSB
SCHEMBL25229366 0.73 MEN1 (0.44) CTSSCTSKBTKCTSLCTSB
SCHEMBL3528175 0.72 L3MBTL1 (0.49) CTSSCTSKMEN1GAAKMT2A
SCHEMBL21834933 0.71 KDM4C (0.39) CTSSCTSKBTKCTSLCTSB
SCHEMBL16296168 0.71 KDM4C (0.39) CTSSCTSKBTKCTSLCTSB

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 CTSS 3968/4885CTSK 4419/4885BTK 2893/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CTSS 3968/4885CTSK 4419/4885BTK 2893/4885

“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.