SCHEMBL16636342

SCHEMBL16636342

O=C(O)C1CC(F)CCC1c1nc(-c2ccc(F)cn2)sc1-c1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
F12 P00748 1/20 0.31
KCNH2 Q12809 1/20 0.31
WNT3A P56704 1/20 0.30

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
SCHEMBL16636008 1.00 CTSK (0.43) CTSKF12KCNH2WNT3A
SCHEMBL16636344 0.94 CTSK (0.50) CTSKF12KCNH2WNT3A
SCHEMBL16636011 0.94 CTSK (0.50) CTSKF12KCNH2WNT3A
SCHEMBL16636036 0.91 CTSK (0.43) CTSKF12KCNH2
SCHEMBL18531313 0.88 CTSK (0.49) CTSKF12WNT3A
SCHEMBL16635763 0.87 CTSK (0.46) CTSK
SCHEMBL16636176 0.86 CTSK (0.45) CTSKF12
SCHEMBL16636300 0.86 CTSK (0.45) CTSK
SCHEMBL16636582 0.86 CTSK (0.62) CTSKKCNH2
SCHEMBL16636209 0.86 CTSK (0.45) CTSKF12

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 5 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 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
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP 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 4/4885F12 2662/4885KCNH2 4114/4885

“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.