Sugi Predict

Sugi Predict / Compounds / SCHEMBL7333552

SCHEMBL7333552

SCHEMBL7333552

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 18/20 1.00
▸ CTSG P08311 1/20 0.59
▸ MALT1 Q9UDY8 1/20 0.49
▸ CMA1 P23946 1/20 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
SCHEMBL7330574 0.98 ELANE (0.95) ELANECTSGMALT1CMA1
SCHEMBL7335282 0.95 ELANE (0.91) ELANECTSGMALT1CMA1
SCHEMBL29941605 0.95 ELANE (0.91) ELANECTSGMALT1CMA1
SCHEMBL7963859 0.92 ELANE (0.85) ELANECTSGMALT1CMA1
SCHEMBL7861402 0.92 ELANE (0.85) ELANECTSGMALT1CMA1
SCHEMBL7436394 0.89 ELANE (0.80) ELANECTSG
SCHEMBL7960491 0.86 ELANE (0.75) ELANECTSGMALT1
SCHEMBL7964086 0.86 ELANE (0.75) ELANECTSGMALT1CMA1
SCHEMBL7278891 0.83 ELANE (0.70) ELANECTSGMALT1
SCHEMBL6740115 0.82 ELANE (0.70) ELANECTSGMALT1

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-6008196-A AN ENZYME INHIBITORS OF HUMAN NEUTROPHIL ELASTASE HOECHST MARION ROUSSEL, INC. (US) 1999-12-28 — — US disclosed
EP-0763055-B1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMA INC (US) 1999-11-03 — — EP disclosed
EP-0763055-A1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMACEUTICALS INC. (US) 1997-03-19 — — EP disclosed
WO-1995033762-A1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMACEUTICALS INC. (US) 1995-12-14 — — WO disclosed