SCHEMBL5353449

SCHEMBL5353449

CC(C)(C)OC(=O)N[C@H](COCC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.54
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
EPHX1 P07099 1/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
REN P00797 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
USP21 Q9UK80 2/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL5349489 1.00 CACNA1B (0.54) CACNA1BPPARGPPARAEPHX1CTSS
SCHEMBL5354917 0.86 CACNA1B (0.71) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5350332 0.86 CACNA1B (0.71) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5343448 0.85 CACNA1B (0.60) CACNA1BPPARACTSSCTSKREN
SCHEMBL5342586 0.85 CACNA1B (0.70) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5344672 0.85 PPARG (0.54) CACNA1BPPARGPPARAEPHX1CTSS
SCHEMBL5348842 0.82 GAA (0.52) CACNA1BEPHX1CTSSCTSKL3MBTL1
SCHEMBL5349633 0.78 CACNA1B (0.62) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5349640 0.78 CACNA1B (0.62) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL6803382 0.77 CTSS (0.63) PPARGPPARACTSSCTSKREN

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
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
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 1/4885PPARG 4040/4885PPARA 4335/4885

“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.