SCHEMBL5355034

SCHEMBL5355034

CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.58
KLK7 P49862 2/20 0.54
KLK5 Q9Y337 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 1/20 0.50
PPARA Q07869 1/20 0.48
CTSL P07711 1/20 0.48
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46
CTSS P25774 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL5433106 0.99 CACNA1B (0.58) CACNA1BKLK7KLK5ALDH1A1MEN1
SCHEMBL5351808 0.89 CACNA1B (0.72) CACNA1BKLK7KLK5ALDH1A1PPARA
SCHEMBL5403965 0.88 CACNA1B (0.73) CACNA1BALDH1A1EPHX1PPARACYP3A4
SCHEMBL7104930 0.83 CACNA1B (0.81) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL5350562 0.83 CACNA1B (0.81) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL7421510 0.83 CACNA1B (0.57) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL5349007 0.82 CACNA1B (0.80) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL5349199 0.82 CACNA1B (0.80) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL5349859 0.82 CACNA1B (0.80) CACNA1BKLK7KLK5PPARACTSL
SCHEMBL18813654 0.82 KLK5 (0.54) CACNA1BKLK7KLK5PPARACTSL

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.