SCHEMBL16617897

SCHEMBL16617897

O=C(O)C1CCCCC1c1oc(N2CCC(F)(F)CC2)nc1-c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.54
ALOX5AP P20292 11/20 0.38
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL16617794 1.00 CTSK (0.54) CTSKALOX5APKDM4E
SCHEMBL16617898 0.93 CTSK (0.47) CTSKALOX5AP
SCHEMBL16617797 0.93 CTSK (0.47) CTSKALOX5AP
SCHEMBL16617302 0.90 CTSK (0.54) CTSKALOX5AP
SCHEMBL16617120 0.86 CTSK (0.75) CTSK
SCHEMBL16617854 0.86 CTSK (0.38) CTSKALOX5AP
SCHEMBL16617304 0.83 CTSK (0.47) CTSKALOX5AP
SCHEMBL16617123 0.80 CTSK (0.67) CTSK
SCHEMBL16635771 0.78 CTSK (0.54) CTSKALOX5APKDM4E
SCHEMBL16636212 0.78 CTSK (0.54) CTSKALOX5APKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
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 4/4885ALOX5AP 2445/4885KDM4E 2274/4885

“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.