SCHEMBL5364733

SCHEMBL5364733

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.65
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5343490 1.00 CACNA1B (0.65) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5347155 0.99 CACNA1B (0.65) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5348911 0.99 CACNA1B (0.65) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5388678 0.93 CACNA1B (0.75) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5351862 0.93 CACNA1B (0.75) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5348018 0.91 CACNA1B (0.56) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5353369 0.91 CACNA1B (0.56) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5361495 0.90 CACNA1B (0.56) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5354454 0.90 CACNA1B (0.56) CACNA1BKLK7KLK5PPARGPPARA
SCHEMBL5436345 0.87 CACNA1B (0.68) CACNA1BKLK7KLK5PPARGPPARA

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 1/4885KLK7 4859/4885KLK5 4864/4885

“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.