SCHEMBL16617414

SCHEMBL16617414

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2oc(-c3cccc(C(F)(F)F)c3)nc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.79
CTSS P25774 9/20 0.42
CTSB P07858 8/20 0.42
KCNH2 Q12809 3/20 0.42
SCN9A Q15858 1/20 0.39

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
SCHEMBL16617412 0.95 CTSK (0.70) CTSKCTSSCTSBKCNH2SCN9A
SCHEMBL16638044 0.93 CTSK (0.85) CTSKCTSSCTSBKCNH2
SCHEMBL16617928 0.93 CTSK (0.85) CTSKCTSSCTSBKCNH2
SCHEMBL16617598 0.92 CTSK (0.85) CTSKCTSSCTSBKCNH2SCN9A
SCHEMBL16617346 0.91 CTSK (0.78) CTSKCTSSCTSBKCNH2
SCHEMBL16617720 0.91 CTSK (0.75) CTSKCTSSCTSBKCNH2SCN9A
SCHEMBL16617491 0.90 CTSK (0.78) CTSKCTSSCTSBKCNH2
SCHEMBL16617308 0.90 CTSK (0.78) CTSKCTSSCTSBKCNH2
SCHEMBL16638056 0.90 CTSK (0.73) CTSKCTSSCTSBKCNH2
SCHEMBL16617388 0.90 CTSK (0.73) CTSKCTSSCTSBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP claimed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US claimed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US claimed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
WO-2015054089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US 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-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSS 2/4885CTSB 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.