Sugi Predict

Sugi Predict / Compounds / SCHEMBL2155014

SCHEMBL2155014

SCHEMBL2155014

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.71
▸ CTSL P07711 16/20 0.71
▸ CTSS P25774 14/20 0.71
▸ CTSB P07858 10/20 0.71

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
SCHEMBL2156497 0.91 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL2156488 0.88 CTSL (0.55) CTSKCTSLCTSSCTSB
SCHEMBL14673490 0.88 CTSL (0.72) CTSKCTSLCTSSCTSB
SCHEMBL6092629 0.88 CTSL (0.60) CTSKCTSLCTSSCTSB
SCHEMBL14673197 0.86 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL14673246 0.86 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL14673525 0.86 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL14673271 0.86 CTSL (0.55) CTSKCTSLCTSSCTSB
SCHEMBL6363596 0.86 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL14673225 0.85 CTSL (0.74) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 — — US disclosed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 — — US disclosed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 — — US disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 — — EP disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 — — US disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 — — EP disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 — — 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 (3 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSS 2/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK CTSK 3/4885CTSL 2/4885CTSS 6/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB CTSK 4/4885CTSL 7/4885CTSS 2/4885

“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.