SCHEMBL17008385

SCHEMBL17008385

N#CC1(NC(=O)[C@H]2CC(F)(F)CC[C@@H]2c2nn(-c3ccc(F)cc3)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 1.00
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL17008375 1.00 CTSK (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL17020278 1.00 CTSK (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL17008371 0.94 CTSK (0.89) CTSKCTSBCTSSKCNH2
SCHEMBL17008684 0.94 CTSK (0.89) CTSKCTSBCTSSKCNH2
SCHEMBL17008384 0.94 CTSK (0.89) CTSKCTSBCTSSKCNH2
SCHEMBL18279794 0.92 CTSK (0.85) CTSKCTSBCTSSKCNH2
SCHEMBL18279836 0.92 CTSK (0.85) CTSKCTSBCTSSKCNH2
SCHEMBL17020265 0.92 CTSK (0.85) CTSKCTSBCTSSKCNH2
SCHEMBL23968195 0.91 CTSK (0.83) CTSKCTSBCTSSKCNH2
SCHEMBL17008228 0.90 CTSK (1.00) CTSKCTSBCTSSKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP claimed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US claimed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 US claimed
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO claimed
EP-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
WO-2015123089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 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-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSB 1/4885CTSS 2/4885

“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.