SCHEMBL5350405

SCHEMBL5350405

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.70
YAP1 P46937 3/20 0.44
MCL1 Q07820 2/20 0.44
PSMB1 P20618 2/20 0.39
PSMB8 P28062 2/20 0.39
PSMB9 P28065 2/20 0.39
PSMB5 P28074 2/20 0.39
ATM Q13315 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB2 P49721 1/20 0.39
ACE P12821 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GHSR Q92847 1/20 0.39
REN P00797 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL4841903 0.92 CACNA1B (0.81) CACNA1BMCL1ATMHSD17B10REN
SCHEMBL5345727 0.90 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5345740 0.90 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5350462 0.90 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5349399 0.90 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5112735 0.90 CACNA1B (0.66) CACNA1BATMHSD17B10RENMEN1
SCHEMBL5348084 0.90 CACNA1B (0.60) CACNA1BYAP1ATMHSD17B10REN
SCHEMBL5124804 0.88 CACNA1B (0.67) CACNA1BATMHSD17B10RENMEN1
SCHEMBL5110969 0.88 CACNA1B (0.63) CACNA1BMCL1ATMHSD17B10REN
SCHEMBL5348575 0.87 CACNA1B (0.69) CACNA1BATMHSD17B10RENMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP disclosed

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 1/4885YAP1 3828/4885MCL1 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.