SCHEMBL21137604

SCHEMBL21137604

CN(CCN(C)C(=O)OC(C)(C)C)C(=O)OCS

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PDK2 Q15119 1/20 0.33
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL10260946 0.86 HDAC6 (0.40) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL22303932 0.83 NFKB1 (0.43) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL25795585 0.82 HDAC6 (0.36) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL22651094 0.81 PDK2 (0.36) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL15356403 0.81 GBA1 (0.34) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL19088681 0.81 GBA1 (0.36) GBA1HDAC6CA14HDAC1HDAC2
SCHEMBL19699862 0.80 CHRM2 (0.39) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL14280284 0.80 GBA1 (0.34) GBA1HDAC6CA14HDAC1HDAC2
SCHEMBL25736655 0.79 HDAC6 (0.38) GBA1HDAC6CHRNB2CHRNA4CA14
SCHEMBL20762898 0.79 GBA1 (0.39) GBA1HDAC6CA14HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-25 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-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof GFPT1, QPCT, GLB1 GBA1 670/4885HDAC6 4816/4885CHRNB2 3715/4885

“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.