SCHEMBL5365037

SCHEMBL5365037

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
CACNA1B Q00975 2/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
METAP2 P50579 2/20 0.38
METAP1 P53582 1/20 0.38
ACE P12821 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5363817 1.00 PPARG (0.49) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5348412 1.00 PPARG (0.49) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5344882 0.86 PPARG (0.49) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5344672 0.86 PPARG (0.54) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5356987 0.83 CACNA1B (0.51) PPARGPPARAL3MBTL1CACNA1B
SCHEMBL5356434 0.83 CACNA1B (0.51) PPARGPPARAL3MBTL1CACNA1B
SCHEMBL5348837 0.81 CACNA1B (0.56) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5363821 0.80 PPARG (0.44) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5365046 0.80 PPARG (0.44) PPARGPPARAL3MBTL1CACNA1BCTSK
SCHEMBL5348417 0.80 PPARG (0.44) PPARGPPARAL3MBTL1CACNA1BCTSK

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 4335/4885L3MBTL1 1375/4885

“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.