SCHEMBL6743171

SCHEMBL6743171

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)C1(C(=O)O)CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 3/20 0.40
CTSB P07858 1/20 0.40
PREP P48147 1/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
TRPA1 O75762 2/20 0.36
CYP2D6 P10635 1/20 0.34
ELANE P08246 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7874343 0.75 CYP4F2 (0.30)
SCHEMBL26108087 0.75 CYP4F2 (0.30)
SCHEMBL8203082 0.73 CTSK (0.52) CTSKCTSSCTSLCTSBPREP
SCHEMBL8202465 0.72 CTSK (0.51) CTSKCTSSCTSLCTSBPREP
SCHEMBL13223077 0.72 CTSK (0.51) CTSKCTSSCTSLCTSBPREP
SCHEMBL9409791 0.71 EPHX2 (0.40) CTSKCTSSTRPA1ALOX15TSHR
SCHEMBL9409788 0.71 EPHX2 (0.40) CTSKCTSSTRPA1ALOX15TSHR
SCHEMBL7313574 0.70 CYP4F2 (0.31)
SCHEMBL10192146 0.70 CTSK (0.57) CTSKCTSSCTSLCTSBPREP
SCHEMBL59323 0.70 CTSK (0.61) CTSKCTSSCTSLCTSBPREP

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 CTSK 162/4885CTSS 108/4885CTSL 52/4885

“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.