SCHEMBL7110494

SCHEMBL7110494

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NSC(Cc1ccc(Oc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.50
HSD17B10 Q99714 1/20 0.43
ATM Q13315 2/20 0.40
MCL1 Q07820 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BIRC2 Q13490 1/20 0.37
YAP1 P46937 1/20 0.37
GHSR Q92847 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
SCHEMBL7110461 0.94 CACNA1B (0.44) CACNA1BHSD17B10MCL1MEN1KMT2A
SCHEMBL7111673 0.92 YAP1 (0.46) CACNA1BHSD17B10ATMMCL1YAP1
SCHEMBL7110901 0.92 MEN1 (0.43) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7110470 0.92 MEN1 (0.43) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7105591 0.92 MEN1 (0.43) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7107053 0.91 CACNA1B (0.45) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7105221 0.88 ATM (0.39) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7768808 0.88 CACNA1B (0.47) CACNA1BBIRC2
SCHEMBL7109484 0.87 USP21 (0.40) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL7105548 0.86 HSD17B10 (0.39) CACNA1BHSD17B10ATMMEN1KMT2A

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 1/4885HSD17B10 1544/4885ATM 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.