SCHEMBL16635718

SCHEMBL16635718

O=C(O)C1CC2CC2CC1c1nc(-c2cncc(F)c2)sc1-c1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.41
CHEK1 O14757 2/20 0.32
PIM1 P11309 1/20 0.32
DYRK1A Q13627 3/20 0.31
GSK3B P49841 2/20 0.31
CLK1 P49759 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
SCHEMBL16635679 1.00 CTSK (0.41) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635677 0.93 CTSK (0.48) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635716 0.93 CTSK (0.48) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635866 0.91 CTSK (0.41) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16636184 0.89 CTSK (0.43) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635786 0.89 CTSK (0.43) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635725 0.85 CTSK (0.60) CTSKDYRK1AGSK3B
SCHEMBL16637706 0.85 CTSK (0.35) CTSKPIM1DYRK1AGSK3B
SCHEMBL16635865 0.84 CTSK (0.47) CTSKCHEK1PIM1DYRK1AGSK3B
SCHEMBL16635788 0.82 CTSK (0.50) CTSKCHEK1PIM1DYRK1AGSK3B

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 4/4885CHEK1 2179/4885PIM1 2205/4885

“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.