SCHEMBL5353591

SCHEMBL5353591

COc1ccc(COC(=O)[C@H](CC(=O)OC2CCCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 1.00
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TACR1 P25103 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
CTSL P07711 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL5346162 1.00 CACNA1B (1.00) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5349474 1.00 CACNA1B (1.00) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5350362 1.00 CACNA1B (1.00) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5347423 0.99 CACNA1B (0.98) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5357001 0.99 CACNA1B (0.98) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5353251 0.97 CACNA1B (0.94) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5348393 0.92 CACNA1B (0.86) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5351427 0.92 CACNA1B (0.86) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5363900 0.91 CACNA1B (0.84) CACNA1BKLK7KLK5ALDH1A1LMNA
SCHEMBL5352831 0.91 CACNA1B (0.84) CACNA1BKLK7KLK5ALDH1A1LMNA

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.