SCHEMBL5759218

SCHEMBL5759218

CN(Cc1ccccc1)CC(C#N)(CCc1ccccc1)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.61
CTSL P07711 3/20 0.49
CTSK P43235 1/20 0.49
CTSB P07858 1/20 0.46
REN P00797 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
SCHEMBL5761812 0.84 CTSS (0.43) CTSSCTSLCTSBREN
SCHEMBL7363745 0.83 CTSS (0.55) CTSSCTSLCTSKREN
SCHEMBL5757363 0.78 CTSS (0.61) CTSSCTSL
SCHEMBL5758603 0.78 CTSS (0.61) CTSSCTSL
SCHEMBL5757358 0.78 CTSS (0.61) CTSSCTSL
SCHEMBL5758379 0.78 CTSS (0.66) CTSSCTSLCTSKCTSB
SCHEMBL5761262 0.76 CTSS (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5760517 0.76 CTSS (0.77) CTSSCTSLCTSKCTSBREN
SCHEMBL5756972 0.75 CTSS (0.73) CTSSCTSLCTSKCTSBREN
SCHEMBL5760506 0.74 CTSS (0.76) CTSSCTSLCTSKCTSBREN

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (2 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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 CTSS 15/4885CTSL 56/4885CTSK 100/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 CTSS 15/4885CTSL 56/4885CTSK 100/4885

“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.