SCHEMBL5168501

SCHEMBL5168501

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA2 P00918 1/20 0.39
CTSK P43235 6/20 0.36
CTSS P25774 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
APLNR P35414 1/20 0.33

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
SCHEMBL5170449 0.77 CTSK (0.40) CA1CA7CA2CTSKCTSS
SCHEMBL4246389 0.75 CA1 (0.42) CA1CA7CA2CTSKCTSS
SCHEMBL28898391 0.75 CA1 (0.42) CA1CA7CA2CTSKCTSS
SCHEMBL4246386 0.75 CA1 (0.42) CA1CA7CA2CTSKCTSS
SCHEMBL9424992 0.75 CA1 (0.42) CA1CA7CA2CTSKCTSS
SCHEMBL28243508 0.74 CA1 (0.42) CA1CA7CA2CTSKCTSS
SCHEMBL27163641 0.74 TSHR (0.34) CA1CA7CA2CA12CA14
SCHEMBL24938357 0.74 MEN1 (0.41) CA1CA7CA2CTSKCTSS
SCHEMBL29873966 0.74 MEN1 (0.41) CA1CA7CA2CTSKCTSS
SCHEMBL12634863 0.73 CA1 (0.49) CA1CA7CA2CTSKCTSS

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 CA1 1663/4885CA7 2332/4885CA2 3439/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CA1 1663/4885CA7 2332/4885CA2 3439/4885

“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.