SCHEMBL4701784

SCHEMBL4701784

CC(C)CC(C(N)=O)N(CC#N)c1sncc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
PTPN11 Q06124 1/20 0.35
JAK2 O60674 6/20 0.35
JAK1 P23458 6/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
PDK2 Q15119 1/20 0.35
BACE1 P56817 2/20 0.34
RET P07949 2/20 0.34
MC4R P32245 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL4701790 0.75 CTSS (0.51) CTSSCTSKSMARCA2SMARCA4PBRM1
SCHEMBL4699260 0.73 CTSS (0.47) CTSSCTSKGPR119JAK2JAK1
SCHEMBL4703396 0.73 CTSS (0.47) CTSSCTSKGPR119JAK2JAK1
SCHEMBL4698971 0.73 CTSL (0.49) CTSSCTSK
SCHEMBL4703117 0.72 CTSS (0.47) CTSSCTSKGPR119CKS1BSKP1
SCHEMBL4701886 0.72 CTSS (0.47) CTSSCTSKGPR119CKS1BSKP1
SCHEMBL4704442 0.71 CTSS (0.46) CTSSCTSKGPR119JAK2JAK1
SCHEMBL6208765 0.70 CTSL (0.36) CTSS
SCHEMBL20818663 0.64 CKS1B (0.58) SMARCA2SMARCA4PBRM1GPR119CKS1B
SCHEMBL652792 0.64 GRM5 (0.53) SMARCA2SMARCA4PBRM1GPR119CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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 (1 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSS 2/4885CTSK 4/4885SMARCA2 4064/4885

“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.