SCHEMBL3676601

SCHEMBL3676601

CC(C)(F)C[C@H](N)C(=O)N([C@@H](c1ccc(-c2ccc(CC(N)=O)cc2F)cc1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.43
DPP4 P27487 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSF Q9UBX1 2/20 0.32
CTSV O60911 1/20 0.32
CTSS P25774 1/20 0.32
KDM1A O60341 1/20 0.31
LGMN Q99538 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
SCHEMBL3682020 0.90 CTSK (0.42) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3679142 0.88 CTSK (0.43) CTSKAKR1C3AKR1C2
SCHEMBL3676793 0.88 CTSK (0.43) CTSKAKR1C3AKR1C2
SCHEMBL18203136 0.88 CTSK (0.43) CTSKAKR1C3AKR1C2
SCHEMBL3679395 0.88 CTSK (0.43) CTSKAKR1C3AKR1C2
SCHEMBL18203128 0.88 CTSK (0.43) CTSKAKR1C3AKR1C2
SCHEMBL3681887 0.87 CTSK (0.58) CTSKAKR1C3AKR1C2CTSLCTSB
SCHEMBL3679939 0.82 CTSK (0.39) CTSKCTSLCTSBCTSFCTSV
SCHEMBL2155366 0.81 CTSK (0.45) CTSKCTSLCTSBCTSFCTSV
SCHEMBL18203132 0.81 CTSK (0.43) CTSKAKR1C3AKR1C2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694647-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-09 EP claimed
US-7687524-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2010-03-30 US claimed
US-20070099893-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-05-03 US claimed
EP-1694647-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-09 EP disclosed
US-7687524-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2010-03-30 US disclosed
US-20070099893-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-05-03 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-20070099893-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885DPP4 496/4885AKR1C3 2461/4885

“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.