SCHEMBL5166802

SCHEMBL5166802

CC(C=CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CTSK P43235 7/20 0.36
CTSS P25774 4/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP2D6 P10635 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
MAPK10 P53779 1/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
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
SCHEMBL5168492 0.79 CTSK (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL5169119 0.78 MEN1 (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL15096829 0.78 MAPK10 (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL12571335 0.78 MAPK10 (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL5167220 0.77 CA1 (0.40) MEN1GAAKMT2ACA1CA2
SCHEMBL20881200 0.77 CTSK (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL22662736 0.77 CTSK (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL9134275 0.75 CA1 (0.38) MEN1GAAKMT2ACA1CA2
SCHEMBL9134269 0.75 CA1 (0.38) MEN1GAAKMT2ACA1CA2
SCHEMBL10580309 0.73 CA1 (0.37) MEN1GAAKMT2ACA1CA2

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.