SCHEMBL18010286

SCHEMBL18010286

Cc1nc([C@@H]2CCCC[C@H]2C(=O)NCC#N)c(-c2ccc(N3CCS(O)(O)CC3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.51
CTSB P07858 8/20 0.49
CTSS P25774 8/20 0.46
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL16636453 1.00 CTSK (0.51) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16636455 0.93 CTSK (0.58) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16644703 0.93 CTSK (0.58) CTSKCTSBCTSSJAK2JAK1
SCHEMBL18010289 0.90 CTSK (0.49) CTSKCTSBCTSS
SCHEMBL16635885 0.89 CTSK (0.57) CTSKCTSBCTSS
SCHEMBL16635869 0.85 CTSK (0.49) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16638075 0.84 CTSK (0.44) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16644700 0.83 CTSK (0.57) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16644701 0.83 CTSK (0.57) CTSKCTSBCTSSJAK2JAK1
SCHEMBL16635886 0.82 CTSK (0.65) CTSKCTSBCTSS

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 4 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 claimed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US claimed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US claimed
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP 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 4/4885CTSB 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.