SCHEMBL6740047

SCHEMBL6740047

CC(C)C(NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](N)C(C)C)C(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
CTSG P08311 1/20 0.46
HTRA1 Q92743 5/20 0.41
AGTR2 P50052 3/20 0.38
BDKRB2 P30411 1/20 0.38

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 0.87 CMA1 (0.52) ELANECTSG
SCHEMBL6738980 0.81 ELANE (0.41) ELANECTSGHTRA1
SCHEMBL6741140 0.81 ELANE (0.61) ELANECTSG
SCHEMBL13815175 0.80 AGTR2 (0.40) ELANEAGTR2BDKRB2
SCHEMBL6742331 0.78 DPP4 (0.45) ELANECTSGHTRA1
SCHEMBL19899291 0.76 HTRA1 (0.55) HTRA1
SCHEMBL19899288 0.76 HTRA1 (0.55) HTRA1
SCHEMBL19899281 0.74 HTRA1 (0.64) HTRA1
SCHEMBL19899280 0.74 HTRA1 (0.64) HTRA1
SCHEMBL19899298 0.74 HTRA1 (0.46) HTRA1

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 ELANE 1/4885CTSG 91/4885HTRA1 194/4885

“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.