SCHEMBL3678818

SCHEMBL3678818

CC(C)(F)C[C@H](N)C(=O)N([C@@H](c1ccc(-c2ccc(C3(C(=O)N4CCC4)CC3)cc2)cc1)C(F)F)C1(C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSF Q9UBX1 2/20 0.41
CTSK P43235 10/20 0.40
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIA2 P42262 1/20 0.35
HSD11B1 P28845 6/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL3671247 0.88 CTSK (0.51) CTSLCTSBCTSFCTSK
SCHEMBL3687738 0.87 CTSK (0.47) CTSLCTSBCTSFCTSK
SCHEMBL3681332 0.80 CTSK (0.36) CTSLCTSBCTSFCTSK
SCHEMBL3680228 0.77 CTSK (0.53) CTSLCTSBCTSFCTSK
SCHEMBL3681099 0.76 CTSK (0.41) CTSLCTSBCTSFCTSKHSD11B1
SCHEMBL3688323 0.76 CTSK (0.45) CTSLCTSBCTSFCTSK
SCHEMBL3684241 0.75 CTSK (0.44) CTSKCYP3A4CYP2C9CYP2C19
SCHEMBL2155366 0.72 CTSK (0.45) CTSLCTSBCTSFCTSK
SCHEMBL5528835 0.72 CTSK (0.43) CTSLCTSBCTSFCTSKHSD11B1
SCHEMBL11898023 0.72 CTSK (0.41) CTSLCTSBCTSFCTSK

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 CTSL 8/4885CTSB 1/4885CTSF 6/4885

“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.