SCHEMBL16636192

SCHEMBL16636192

CC(C#N)NC(=O)[C@@H]1C[C@@H](F)CC[C@H]1c1nc(-c2ccc(F)cn2)sc1-c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.52
PRKD1 Q15139 2/20 0.32
CTSS P25774 2/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
WNT3A P56704 1/20 0.32
CTSB P07858 3/20 0.31
F12 P00748 1/20 0.31

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
SCHEMBL16636178 1.00 CTSK (0.52) CTSKPRKD1CTSSJAK2JAK1
SCHEMBL16636210 1.00 CTSK (0.52) CTSKPRKD1CTSSJAK2JAK1
SCHEMBL24018861 1.00 CTSK (0.52) CTSKPRKD1CTSSJAK2JAK1
SCHEMBL16636176 0.95 CTSK (0.45) CTSKPRKD1CTSSCTSBF12
SCHEMBL16636190 0.95 CTSK (0.45) CTSKPRKD1CTSSCTSBF12
SCHEMBL16636209 0.95 CTSK (0.45) CTSKPRKD1CTSSCTSBF12
SCHEMBL16635764 0.89 CTSK (0.53) CTSKCTSSJAK2JAK1JAK3
SCHEMBL18030207 0.89 CTSK (0.51) CTSKPRKD1CTSSJAK2JAK1
SCHEMBL16636562 0.89 CTSK (0.47) CTSKPRKD1
SCHEMBL16644737 0.88 CTSK (0.52) CTSKPRKD1CTSSCTSB

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 4/4885PRKD1 2114/4885CTSS 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.