SCHEMBL5356987

SCHEMBL5356987

C[C@@H](NC(=O)[C@@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
F13A1 P00488 5/20 0.35
TGM2 P21980 5/20 0.35
USP21 Q9UK80 2/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL5356434 1.00 CACNA1B (0.51) CACNA1BATMHSD17B10MCL1L3MBTL1
SCHEMBL4845077 0.89 CACNA1B (0.46) CACNA1BL3MBTL1F13A1TGM2USP21
SCHEMBL5350298 0.89 CACNA1B (0.62) CACNA1BATMHSD17B10MCL1L3MBTL1
SCHEMBL5351646 0.88 CACNA1B (0.49) CACNA1BL3MBTL1F13A1TGM2USP21
SCHEMBL5356439 0.84 ATM (0.41) CACNA1BATMHSD17B10MCL1L3MBTL1
SCHEMBL5356991 0.84 ATM (0.41) CACNA1BATMHSD17B10MCL1L3MBTL1
SCHEMBL5363817 0.83 PPARG (0.49) CACNA1BL3MBTL1PPARGPPARA
SCHEMBL5348412 0.83 PPARG (0.49) CACNA1BL3MBTL1PPARGPPARA
SCHEMBL5365037 0.83 PPARG (0.49) CACNA1BL3MBTL1PPARGPPARA
SCHEMBL5118882 0.80 CACNA1B (0.52) CACNA1BATMHSD17B10PPARGPPARA

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
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
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 3517/4885HSD17B10 1544/4885

“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.