SCHEMBL16617955

SCHEMBL16617955

N#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1c1oc(-c2ccc(F)cc2)nc1-c1ccccc1N1CCS(=O)(=O)CC1)C1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.58
CTSS P25774 1/20 0.35
PRCP P42785 3/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR3A P46098 2/20 0.30
USP1 O94782 1/20 0.30
USP19 O94966 1/20 0.30
UCHL3 P15374 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16618105 1.00 CTSK (0.58) CTSKCTSSPRCPLMNASMN1; SMN2
SCHEMBL16617420 0.96 CTSK (0.59) CTSKCTSSLMNASMN1; SMN2HTR3A
SCHEMBL16618008 0.95 CTSK (0.60) CTSKCTSSLMNASMN1; SMN2HTR3A
SCHEMBL16617909 0.90 CTSK (0.71) CTSKCTSSPRCPKMT2A
SCHEMBL16617708 0.90 CTSK (0.71) CTSKCTSSPRCPKMT2A
SCHEMBL16617438 0.87 CTSK (0.58) CTSKCTSSHTR3AUSP1USP19
SCHEMBL16617702 0.86 CTSK (0.74) CTSKCTSSPRCPLMNAKMT2A
SCHEMBL16617664 0.85 CTSK (0.75) CTSKCTSSPRCPLMNAHTR3A
SCHEMBL16617236 0.85 CTSK (0.60) CTSKCTSS
SCHEMBL16617707 0.84 CTSK (0.63) CTSKCTSSPRCPLMNAKMT2A

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 2/4885PRCP 17/4885

“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.