SCHEMBL5347780

SCHEMBL5347780

CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.67
KLK7 P49862 4/20 0.50
KLK5 Q9Y337 3/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARA Q07869 2/20 0.47
CTSL P07711 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
ACE P12821 1/20 0.45
CTSS P25774 1/20 0.45
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 1.00 CACNA1B (0.67) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5362053 0.99 CACNA1B (0.66) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL3572628 0.92 CACNA1B (0.59) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL191613 0.92 CACNA1B (0.59) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5352709 0.91 CACNA1B (0.58) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5344969 0.91 CACNA1B (0.58) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5350562 0.90 CACNA1B (0.81) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL7104930 0.90 CACNA1B (0.81) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5362006 0.89 CACNA1B (0.81) CACNA1BKLK7KLK5ITGB3ITGA2B
SCHEMBL5344911 0.89 CACNA1B (0.81) CACNA1BKLK7KLK5ITGB3ITGA2B

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.