SCHEMBL16618031

SCHEMBL16618031

CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@H]1c1oc(-c2ccc(F)cc2)nc1-c1ccccc1N1CC[S+]([O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.45
CTSS P25774 2/20 0.34
USP1 O94782 1/20 0.32
USP19 O94966 1/20 0.32
UCHL3 P15374 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RCE1 Q9Y256 1/20 0.31
HTR3A P46098 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL16618122 0.93 CTSK (0.46) CTSKCTSSUSP1USP19UCHL3
SCHEMBL16618032 0.89 CTSK (0.57) CTSKCTSSALDH1A1KDM4ERCE1
SCHEMBL16618023 0.85 CTSK (0.64) CTSKCTSS
SCHEMBL16617993 0.82 CTSK (0.59) CTSKCTSSALDH1A1KDM4ERCE1
SCHEMBL16617438 0.81 CTSK (0.58) CTSKCTSSUSP1USP19UCHL3
SCHEMBL16617420 0.80 CTSK (0.59) CTSKCTSSUSP1USP19UCHL3
SCHEMBL16618008 0.80 CTSK (0.60) CTSKCTSSUSP1USP19UCHL3
SCHEMBL16624858 0.78 CTSK (0.72) CTSKCTSSALDH1A1KDM4ERCE1
SCHEMBL16618105 0.78 CTSK (0.58) CTSKCTSSUSP1USP19UCHL3
SCHEMBL16617955 0.78 CTSK (0.58) CTSKCTSSUSP1USP19UCHL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US 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-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSS 2/4885USP1 360/4885

“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.