SCHEMBL7108975

SCHEMBL7108975

COc1ccc(CC(C2CCCCC2)[S+]([O-])NC(=O)[C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
CACNA1B Q00975 1/20 0.40
PSMB8 P28062 6/20 0.38
PSMB5 P28074 4/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
PSMB9 P28065 4/20 0.36
PSMB10 P40306 2/20 0.36
PSMB2 P49721 1/20 0.35
MCL1 Q07820 2/20 0.35
BIRC2 Q13490 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7110470 0.84 MEN1 (0.43) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7105591 0.84 MEN1 (0.43) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7110901 0.84 MEN1 (0.43) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7109650 0.83 MEN1 (0.41) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7774527 0.79 MEN1 (0.43) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7105628 0.78 MEN1 (0.45) MEN1KMT2AHSD17B10CACNA1BPSMB8
SCHEMBL5347579 0.77 CACNA1B (0.52) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7110494 0.77 CACNA1B (0.50) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7109484 0.75 USP21 (0.40) MEN1KMT2AHSD17B10ATMCACNA1B
SCHEMBL7768814 0.75 CACNA1B (0.39) MEN1KMT2ACACNA1BPSMB8PSMB5

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-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A MEN1 2633/4885KMT2A 1929/4885HSD17B10 1544/4885

“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.