Sugi Predict

Sugi Predict / Compounds / SCHEMBL7302317

SCHEMBL7302317

SCHEMBL7302317

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Nc1ccc(C(=O)O)cc1)C(C)C)C(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 1.00
▸ CMA1 P23946 7/20 0.59
▸ CTSG P08311 1/20 0.57
▸ CTRC Q99895 2/20 0.49

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
SCHEMBL7303733 0.91 ELANE (0.84) ELANECMA1CTSG
SCHEMBL7310232 0.89 ELANE (0.80) ELANECMA1CTSG
SCHEMBL7310675 0.89 ELANE (0.80) ELANECMA1CTSG
SCHEMBL9277429 0.88 ELANE (0.79) ELANECMA1CTSG
SCHEMBL7432895 0.85 ELANE (0.74) ELANECMA1CTSG
SCHEMBL7437294 0.83 ELANE (0.71) ELANECMA1CTSG
SCHEMBL7305601 0.83 ELANE (0.70) ELANECMA1CTSG
SCHEMBL7302442 0.82 ELANE (0.70) ELANECMA1CTSGCTRC
SCHEMBL7952500 0.81 ELANE (0.75) ELANECMA1CTSG
SCHEMBL20943172 0.81 ELANE (0.69) ELANECMA1CTSG

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
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 — — EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 — — US disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 — — US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 — — EP disclosed