SCHEMBL6745052

SCHEMBL6745052

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.53
AGTR2 P50052 2/20 0.48
CAPN1 P07384 2/20 0.47
ABCB1 P08183 1/20 0.45
KMT2A Q03164 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL6738003 0.86 CMA1 (0.52) CMA1ELANE
SCHEMBL16923607 0.81 ACE (0.51) AGTR2ABCB1
SCHEMBL376159 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL26604823 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL708629 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL7287734 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL1448119 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL949983 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL3179881 0.81 ABCB1 (0.52) AGTR2ABCB1
SCHEMBL708628 0.81 ABCB1 (0.52) AGTR2ABCB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 WO 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-20030096759-A1 Novel elastase inhibitors ELANE, SERPINB1, MMP8 CMA1 75/4885AGTR2 1119/4885CAPN1 654/4885

“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.