SCHEMBL5350301

SCHEMBL5350301

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.44
ATM Q13315 1/20 0.40
MCL1 Q07820 8/20 0.39
EPHX1 P07099 1/20 0.38
USP21 Q9UK80 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 1/20 0.36
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HTRA1 Q92743 1/20 0.35

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
SCHEMBL5112745 0.90 CACNA1B (0.47) CACNA1BATMMEN1KMT2AL3MBTL1
SCHEMBL5356439 0.89 ATM (0.41) CACNA1BATMMCL1USP21L3MBTL1
SCHEMBL5356991 0.89 ATM (0.41) CACNA1BATMMCL1USP21L3MBTL1
SCHEMBL5350467 0.89 CACNA1B (0.49) CACNA1BATMMEN1KMT2A
SCHEMBL5345730 0.89 CACNA1B (0.49) CACNA1BATMMEN1KMT2A
SCHEMBL5349400 0.89 CACNA1B (0.49) CACNA1BATMMEN1KMT2A
SCHEMBL5345749 0.89 CACNA1B (0.49) CACNA1BATMMEN1KMT2A
SCHEMBL5349527 0.88 EPHX1 (0.43) CACNA1BEPHX1USP21MEN1KMT2A
SCHEMBL5754360 0.88 CACNA1B (0.45) CACNA1BATMMEN1KMT2AHSD17B10
SCHEMBL4843030 0.87 CACNA1B (0.40) CACNA1BEPHX1USP21L3MBTL1USP2

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 7 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
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
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 1/4885ATM 3517/4885MCL1 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.