SCHEMBL7109650

SCHEMBL7109650

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 13/20 0.40
ATM Q13315 1/20 0.39
CACNA1B Q00975 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
STS P08842 1/20 0.37
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL7109620 0.85 MEN1 (0.41) MEN1KMT2AMCL1CACNA1BALDH1A1
SCHEMBL7109849 0.85 MEN1 (0.41) MEN1KMT2AMCL1CACNA1BALDH1A1
SCHEMBL7110901 0.85 MEN1 (0.43) MEN1KMT2AMCL1ATMCACNA1B
SCHEMBL7110470 0.85 MEN1 (0.43) MEN1KMT2AMCL1ATMCACNA1B
SCHEMBL7105591 0.85 MEN1 (0.43) MEN1KMT2AMCL1ATMCACNA1B
SCHEMBL7110084 0.84 STS (0.53) MEN1KMT2AALDH1A1POLBSTS
SCHEMBL7108975 0.83 MEN1 (0.42) MEN1KMT2AMCL1ATMCACNA1B
SCHEMBL7774527 0.79 MEN1 (0.43) MEN1KMT2AATMCACNA1BHSD17B10
SCHEMBL7105628 0.79 MEN1 (0.45) MEN1KMT2AMCL1CACNA1BHSD17B10
SCHEMBL7110494 0.77 CACNA1B (0.50) MEN1KMT2AMCL1ATMCACNA1B

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 1929/4885MCL1 4543/4885

“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.