SCHEMBL16635926

SCHEMBL16635926

N#CC1(NC(=O)[C@@H]2CC(F)(F)CC[C@H]2c2nc(-c3ccc(F)cc3)sc2-c2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
JAK2 O60674 1/20 0.39
CTSB P07858 4/20 0.37
CTSS P25774 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL16636048 0.91 CTSK (0.64) CTSKJAK2CTSBCTSSKCNH2
SCHEMBL16636026 0.88 CTSK (0.57) CTSKJAK2CTSBCTSSKCNH2
SCHEMBL16636398 0.87 CTSK (0.58) CTSKCTSBCTSSKCNH2
SCHEMBL16636538 0.85 CTSK (0.54) CTSKCTSBCTSSKCNH2
SCHEMBL16636107 0.79 CTSK (0.73) CTSKCTSBCTSSKCNH2
SCHEMBL16636104 0.79 CTSK (0.82) CTSKCTSBCTSSKCNH2
SCHEMBL16636327 0.78 CTSK (0.69) CTSKCTSBCTSSKCNH2
SCHEMBL16636332 0.78 CTSK (0.70) CTSKCTSBCTSSKCNH2
SCHEMBL16636240 0.75 CTSK (0.65) CTSKCTSBCTSSKCNH2
SCHEMBL17008347 0.75 CTSK (0.67) CTSKJAK2CTSBCTSSKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP claimed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US claimed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US claimed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP claimed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO claimed
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885JAK2 3823/4885CTSB 1/4885

“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.