SCHEMBL2157357

SCHEMBL2157357

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.38
CTSK P43235 9/20 0.38
CTSB P07858 7/20 0.38
CTSS P25774 6/20 0.38
ALOX5 P09917 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
SCHEMBL2156797 0.93 CTSK (0.41) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2130993 0.87 CTSK (0.47) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2157128 0.87 CTSK (0.39) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2156815 0.87 CTSK (0.39) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2157011 0.87 CTSK (0.39) CTSLCTSKCTSBCTSSALOX5
SCHEMBL4992329 0.87 CTSK (0.39) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2155717 0.87 CTSK (0.39) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2130906 0.85 CTSL (0.40) CTSLCTSKCTSBCTSSALOX5
SCHEMBL2133051 0.85 CTSS (0.48) CTSLCTSKCTSBCTSSALOX5
SCHEMBL4414851 0.85 CTSB (0.38) CTSLCTSKCTSBCTSSALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US claimed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US claimed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 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-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSB 1/4885

“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.