Sugi Predict

Sugi Predict / Compounds / SCHEMBL7434910

SCHEMBL7434910

SCHEMBL7434910

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NCc2ccc(N)cc2)cc1)C(C)C)C(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 18/20 0.62
▸ CTSG P08311 1/20 0.62
▸ CMA1 P23946 1/20 0.51
▸ F2 P00734 1/20 0.47

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
SCHEMBL7434338 0.92 ELANE (0.62) ELANECTSGCMA1
SCHEMBL7438305 0.89 ELANE (0.59) ELANECTSGCMA1
SCHEMBL8251369 0.87 ELANE (0.71) ELANECTSGCMA1
SCHEMBL8250889 0.87 ELANE (0.71) ELANECTSGCMA1
SCHEMBL3935567 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943188 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL30583172 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943154 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL3935563 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL17378380 0.84 ELANE (0.68) ELANECTSGCMA1

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-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