SCHEMBL6346016

SCHEMBL6346016

CCCN1CCC(C#N)(NC(=O)C(CSCc2ccccc2)N=c2[nH]c(=O)oc3ccccc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.34
CTSS P25774 9/20 0.34
CTSB P07858 6/20 0.33
CTSK P43235 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL6346009 1.00 CTSL (0.34) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL6346011 1.00 CTSL (0.34) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL6356473 0.90 CTSL (0.33) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6356480 0.90 CTSL (0.33) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6836674 0.88 CTSK (0.35) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6832864 0.86 CTSS (0.34) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6354438 0.83 CTSS (0.43) CTSLCTSSCTSK
SCHEMBL6354440 0.83 CTSS (0.43) CTSLCTSSCTSK
SCHEMBL6345197 0.83 CTSS (0.43) CTSLCTSSCTSK
SCHEMBL6354435 0.83 CTSS (0.43) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858623-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 US claimed
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-08 US claimed
US-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACIUTICALS, INC. (US) 2003-12-18 US claimed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP claimed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US claimed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 WO claimed
US-6858623-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 US disclosed
US-6787540-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-07 US disclosed
US-6720319-B2 ((1-(4-CYANO-1-(2-MORPHOLIN-4-YL-ETHYL)-PIPERIDIN-4 -YLCARBAMOYL)- 2-CYCLOHEXYL-ETHYLAMINO) -MORPHOLIN-4-YL-METHYLENE)- CARBAMIC ACID ISOBUTYL ESTER; CATHEPSINS S, K, F, L AND B; AUTOIMMUNE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACIUTICALS, INC. (US) 2003-12-18 US disclosed
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-11-20 US disclosed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP disclosed
US-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US disclosed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 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 (4 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-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSL 8/4885CTSS 1/4885CTSB 3/4885
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSL 8/4885CTSS 1/4885CTSB 3/4885
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSL 8/4885CTSS 1/4885CTSB 3/4885
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSL 7/4885CTSS 1/4885CTSB 3/4885

“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.