SCHEMBL6738003

SCHEMBL6738003

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.52
ELANE P08246 5/20 0.49
CTSG P08311 1/20 0.48
CTRC Q99895 2/20 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
SCHEMBL6740047 0.87 ELANE (0.46) ELANECTSG
SCHEMBL6745052 0.86 CMA1 (0.53) CMA1ELANE
SCHEMBL6741140 0.81 ELANE (0.61) CMA1ELANECTSG
SCHEMBL6743718 0.80 ELANE (0.48) CMA1ELANECTSG
SCHEMBL13164551 0.76 ELANE (0.52) ELANE
SCHEMBL24109060 0.75 CMA1 (0.54) CMA1CTRC
SCHEMBL7337411 0.74 ELANE (0.62) CMA1ELANECTSG
SCHEMBL30896685 0.74 CAPN1 (0.53) CMA1
SCHEMBL19899288 0.73 HTRA1 (0.55)
SCHEMBL19899291 0.73 HTRA1 (0.55)

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 3 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

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 75/4885ELANE 1/4885CTSG 91/4885

“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.