SCHEMBL10245061

SCHEMBL10245061

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)/C=C/c1cccs1)B(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
PSMB5 P28074 6/20 0.36
PSMB1 P20618 2/20 0.36
PSMB2 P49721 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CLPP Q16740 4/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15628759 0.90 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTAS1R3TAS1R1MAPT
SCHEMBL608819 0.85 TAS1R3 (0.45) SMN1; SMN2HPGDTAS1R3TAS1R1MAPT
SCHEMBL3164178 0.85 MAPT (0.38) SMN1; SMN2TAS1R3TAS1R1MAPTPSMB5
SCHEMBL12754545 0.85 MAPT (0.38) SMN1; SMN2TAS1R3TAS1R1MAPTPSMB5
SCHEMBL12754510 0.85 PSMB5 (0.42) PSMB5PSMB1PSMB2CLPP
SCHEMBL3164560 0.85 PSMB5 (0.38) PSMB5PSMB1PSMB2CLPP
SCHEMBL12754450 0.84 BACE1 (0.37) TAS1R3TAS1R1MAPTPSMB5PSMB1
SCHEMBL3155402 0.84 ALDH1A1 (0.40) MAPTPSMB5PSMB1PSMB2ALDH1A1
SCHEMBL12754443 0.83 LONP1 (0.36) PSMB5PSMB1PSMB2CLPP
SCHEMBL3168316 0.83 ALDH1A1 (0.40) HPGDMAPTPSMB5PSMB1PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 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 (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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 SMN1; SMN2 1107/4885HPGD 3107/4885TAS1R3 4754/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 SMN1; SMN2 1107/4885HPGD 3107/4885TAS1R3 4754/4885

“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.