SCHEMBL6936247

SCHEMBL6936247

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 7/20 0.44
CTSK P43235 7/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
SYK P43405 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29398196 1.00 MEN1 (0.49) MEN1GAAKMT2AKDM4EMAPT
SCHEMBL3544394 0.90 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1626495 0.90 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL5019146 0.90 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL8296164 0.87 CTSS (0.50) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22637154 0.87 CTSS (0.50) MEN1GAAKMT2ACTSSCTSK
SCHEMBL606453 0.87 CTSS (0.50) MEN1GAAKMT2ACTSSCTSK
SCHEMBL14110698 0.84 MEN1 (0.53) MEN1GAAKMT2ACTSSCTSK
SCHEMBL24130649 0.84 MEN1 (0.46) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16945135 0.84 MEN1 (0.58) MEN1GAAKMT2AKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US 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 (1 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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT MEN1 1023/4885GAA 533/4885KMT2A 3762/4885

“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.