SCHEMBL16635701

SCHEMBL16635701

O=C(O)[C@@H]1CCCC[C@H]1c1nc(C2CCOCC2)sc1-c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
KDM4E B2RXH2 1/20 0.37
CFTR P13569 3/20 0.35
SYK P43405 1/20 0.33
JAK2 O60674 3/20 0.33
ALDH1A1 P00352 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
FAAH O00519 2/20 0.32
ALOX5 P09917 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL16636180 1.00 CTSK (0.49) CTSKKDM4ECFTRSYKJAK2
SCHEMBL16636179 0.93 CTSK (0.42) CTSKCFTRJAK2ALDH1A1ALOX5
SCHEMBL16635698 0.93 CTSK (0.42) CTSKCFTRJAK2ALDH1A1ALOX5
SCHEMBL16635789 0.90 CTSK (0.49) CTSKKDM4ESYKJAK2ALDH1A1
SCHEMBL16636101 0.88 CTSK (0.52) CTSKKDM4ESYKALDH1A1FAAH
SCHEMBL16635776 0.88 CTSK (0.52) CTSKKDM4ESYKALDH1A1FAAH
SCHEMBL16635625 0.84 CTSK (0.73) CTSK
SCHEMBL16635791 0.82 CTSK (0.42) CTSKCFTRJAK2ALDH1A1ALOX5
SCHEMBL16635944 0.81 CTSK (0.70) CTSK
SCHEMBL16644731 0.81 CTSK (0.70) CTSK

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 4/4885KDM4E 2274/4885CFTR 837/4885

“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.