SCHEMBL7110461

SCHEMBL7110461

C[C@@H](NC(=O)[C@H]1CSCCN1C(=O)OC(C)(C)C)C(=O)NSC(Cc1ccc(Oc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 5/20 0.38
YAP1 P46937 1/20 0.37
GHSR Q92847 1/20 0.36
SRC P12931 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CMA1 P23946 1/20 0.35
ELANE P08246 1/20 0.35
ACE P12821 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
SCHEMBL7110494 0.94 CACNA1B (0.50) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7105628 0.92 MEN1 (0.45) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7111673 0.86 YAP1 (0.46) CACNA1BHSD17B10MCL1YAP1GHSR
SCHEMBL7110470 0.86 MEN1 (0.43) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7110901 0.86 MEN1 (0.43) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7105591 0.86 MEN1 (0.43) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7107053 0.85 CACNA1B (0.45) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7768808 0.83 CACNA1B (0.47) CACNA1BACE
SCHEMBL7109484 0.82 USP21 (0.40) CACNA1BMEN1KMT2AHSD17B10MCL1
SCHEMBL7105221 0.82 ATM (0.39) CACNA1BMEN1KMT2AHSD17B10MCL1

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 CACNA1B 1/4885MEN1 2633/4885KMT2A 1929/4885

“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.