SCHEMBL5365046

SCHEMBL5365046

C[C@@H](NC(=S)[C@H](CCC1CCCCC1)NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 3/20 0.41
MAPT P10636 3/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CACNA1B Q00975 2/20 0.39
CTSS P25774 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
DRD2 P14416 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5348417 1.00 PPARG (0.44) PPARGPPARAL3MBTL1CTSKMAPT
SCHEMBL5363821 1.00 PPARG (0.44) PPARGPPARAL3MBTL1CTSKMAPT
SCHEMBL5344884 0.85 PPARG (0.44) PPARGPPARAL3MBTL1CTSKMAPT
SCHEMBL5356991 0.83 ATM (0.41) L3MBTL1MAPTADAMTS4ADAMTS5CACNA1B
SCHEMBL5356439 0.83 ATM (0.41) L3MBTL1MAPTADAMTS4ADAMTS5CACNA1B
SCHEMBL5363825 0.82 ALDH1A1 (0.40) PPARGPPARAL3MBTL1MAPTALDH1A1
SCHEMBL5348422 0.82 ALDH1A1 (0.40) PPARGPPARAL3MBTL1MAPTALDH1A1
SCHEMBL5365050 0.82 ALDH1A1 (0.40) PPARGPPARAL3MBTL1MAPTALDH1A1
SCHEMBL5348844 0.81 CACNA1B (0.52) PPARGPPARAL3MBTL1CTSKADAMTS4
SCHEMBL5365037 0.80 PPARG (0.49) PPARGPPARAL3MBTL1CTSKMAPT

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
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
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.