SCHEMBL5409155

SCHEMBL5409155

COc1ccc(COC(=O)[C@H](CCCCNC(=O)C2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.64
ITGB3 P05106 8/20 0.58
ITGA2B P08514 8/20 0.58
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
CXCR3 P49682 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
SCHEMBL5348530 0.82 CACNA1B (0.69) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL5355682 0.81 CACNA1B (0.70) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL23692482 0.81 CACNA1B (0.58) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL5344515 0.80 CACNA1B (0.83) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL5355478 0.80 CACNA1B (0.83) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL17119843 0.80 CACNA1B (0.50) CACNA1BITGB3ITGA2BKLK7KLK5
SCHEMBL23692483 0.80 CACNA1B (0.58) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL18519842 0.79 ITGB3 (0.51) ITGB3ITGA2BKLK7KLK5CXCR3
SCHEMBL5362006 0.79 CACNA1B (0.81) CACNA1BITGB3ITGA2BALDH1A1LMNA
SCHEMBL5344911 0.79 CACNA1B (0.81) CACNA1BITGB3ITGA2BALDH1A1LMNA

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.