SCHEMBL5353369

SCHEMBL5353369

CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.56
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KLK7 P49862 3/20 0.42
KLK5 Q9Y337 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
EPHX1 P07099 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
SCHEMBL5348018 1.00 CACNA1B (0.56) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5361495 0.99 CACNA1B (0.56) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5354454 0.99 CACNA1B (0.56) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5355442 0.93 CACNA1B (0.63) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5354620 0.93 CACNA1B (0.63) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5351070 0.92 CACNA1B (0.63) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5345107 0.92 CACNA1B (0.63) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5343490 0.91 CACNA1B (0.65) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5364733 0.91 CACNA1B (0.65) CACNA1BPPARGPPARAKLK7KLK5
SCHEMBL5348911 0.90 CACNA1B (0.65) CACNA1BPPARGPPARAKLK7KLK5

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
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
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.