SCHEMBL5362053

SCHEMBL5362053

CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.66
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KLK7 P49862 4/20 0.49
KLK5 Q9Y337 3/20 0.49
CTSL P07711 1/20 0.48
PPARA Q07869 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
ACE P12821 1/20 0.44
CTSS P25774 1/20 0.44
PPARG P37231 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL5343459 0.99 CACNA1B (0.67) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5347780 0.99 CACNA1B (0.67) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5352709 0.92 CACNA1B (0.58) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5344969 0.92 CACNA1B (0.58) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL3572628 0.91 CACNA1B (0.59) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL191613 0.91 CACNA1B (0.59) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5349007 0.90 CACNA1B (0.80) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5349859 0.90 CACNA1B (0.80) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5349199 0.90 CACNA1B (0.80) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5355478 0.90 CACNA1B (0.83) CACNA1BITGB3ITGA2BKLK7KLK5

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 1/4885ITGB3 3139/4885ITGA2B 2865/4885

“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.