SCHEMBL5344882

SCHEMBL5344882

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 5/20 0.49
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1B Q00975 2/20 0.39
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACE P12821 1/20 0.36
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PPARD Q03181 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
METAP2 P50579 1/20 0.35
MAPT P10636 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
SCHEMBL5351338 0.86 CACNA1B (0.53) PPARGPPARACTSSCTSKCACNA1B
SCHEMBL5363817 0.86 PPARG (0.49) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL5365037 0.86 PPARG (0.49) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL5344672 0.86 PPARG (0.54) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL5348412 0.86 PPARG (0.49) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL5344884 0.82 PPARG (0.44) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL5348837 0.81 CACNA1B (0.56) PPARGPPARACTSSCTSKL3MBTL1
SCHEMBL6477556 0.74 CTSS (0.54) PPARGPPARACTSSCTSKCACNA1B
SCHEMBL4845165 0.74 CTSS (0.54) PPARGPPARACTSSCTSKCACNA1B
SCHEMBL6476886 0.74 CTSS (0.54) PPARGPPARACTSSCTSKCACNA1B

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 PPARG 4040/4885PPARA 4335/4885CTSS 1885/4885

“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.