SCHEMBL7109484

SCHEMBL7109484

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NSC(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP21 Q9UK80 2/20 0.40
MCL1 Q07820 8/20 0.39
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1B Q00975 1/20 0.37
BCL2 P10415 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BIRC2 Q13490 1/20 0.35
F13A1 P00488 2/20 0.34
TGM2 P21980 2/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34

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 0.89 MEN1 (0.43) MCL1ATMHSD17B10CACNA1BMEN1
SCHEMBL7110901 0.89 MEN1 (0.43) MCL1ATMHSD17B10CACNA1BMEN1
SCHEMBL7105591 0.89 MEN1 (0.43) MCL1ATMHSD17B10CACNA1BMEN1
SCHEMBL7105221 0.88 ATM (0.39) MCL1ATMHSD17B10CACNA1BMEN1
SCHEMBL7110494 0.87 CACNA1B (0.50) MCL1ATMHSD17B10CACNA1BMEN1
SCHEMBL7108927 0.87 ATM (0.41) USP21MCL1ATMHSD17B10CACNA1B
SCHEMBL7105548 0.86 HSD17B10 (0.39) ATMHSD17B10CACNA1BMEN1KMT2A
SCHEMBL7110085 0.86 USP21 (0.39) USP21MCL1BCL2MEN1KMT2A
SCHEMBL7772833 0.86 USP21 (0.39) USP21CACNA1BBIRC2
SCHEMBL7111673 0.85 YAP1 (0.46) MCL1ATMHSD17B10CACNA1BBCL2

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 USP21 3684/4885MCL1 4543/4885ATM 3517/4885

“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.