SCHEMBL16635789

SCHEMBL16635789

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
JAK2 O60674 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SYK P43405 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
EGFR P00533 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FAAH O00519 2/20 0.32
ALOX5 P09917 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
SCHEMBL16635791 0.93 CTSK (0.42) CTSKALDH1A1SLC6A2SLC6A4JAK2
SCHEMBL16635701 0.90 CTSK (0.49) CTSKALDH1A1JAK2TBK1SYK
SCHEMBL16636180 0.90 CTSK (0.49) CTSKALDH1A1JAK2TBK1SYK
SCHEMBL16635757 0.88 CTSK (0.51) CTSKALDH1A1SLC6A2SLC6A4JAK2
SCHEMBL16635625 0.83 CTSK (0.73) CTSK
SCHEMBL16635698 0.82 CTSK (0.42) CTSKALDH1A1JAK2PIK3CAMTOR
SCHEMBL16636179 0.82 CTSK (0.42) CTSKALDH1A1JAK2PIK3CAMTOR
SCHEMBL16636097 0.81 CTSK (0.49) CTSKALDH1A1SLC6A2SLC6A4KDM4E
SCHEMBL16636575 0.81 CTSK (0.49) CTSKALDH1A1SLC6A2SLC6A4KDM4E
SCHEMBL16644700 0.80 CTSK (0.57) CTSKJAK2

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 4/4885ALDH1A1 4582/4885SLC6A2 4308/4885

“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.