Sugi Predict

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SCHEMBL345952

SCHEMBL345952

COC(=O)[C@H](CC(C)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ KYNU Q16719 1/20 0.62
▸ CTSK P43235 5/20 0.55
▸ CTSS P25774 3/20 0.54
▸ CTSL P07711 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ TACR1 P25103 2/20 0.52
▸ ATM Q13315 2/20 0.52
▸ CTRB1 P17538 2/20 0.51

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
SCHEMBL1066671 1.00 ALDH1A1 (0.63) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL12208731 1.00 ALDH1A1 (0.63) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL19227539 0.93 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL4405472 0.90 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL19695419 0.90 CASP1 (0.64) ALDH1A1ALOX15KYNUCTSKCASP1
SCHEMBL13724740 0.90 CASP1 (0.64) ALDH1A1ALOX15KYNUCTSKCASP1
SCHEMBL1067460 0.90 CASP1 (0.64) ALDH1A1ALOX15KYNUCTSKCASP1
SCHEMBL4405476 0.90 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL5670625 0.89 ALDH1A1 (0.60) ALDH1A1ALOX15KYNUCTSKCTSS
SCHEMBL5670629 0.89 ALDH1A1 (0.60) ALDH1A1ALOX15KYNUCTSKCTSS

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 — — EP disclosed
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 — — US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 — — US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 — — EP disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 — — US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 — — US disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 — — EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 — — EP disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 — — US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 — — EP disclosed
EP-1660436-A1 CATHEPSIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-05-31 — — EP 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
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 — — CN disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 — — WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 — — WO disclosed
WO-2005021487-A1 CATHEPSIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-10 — — WO disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 — — EP disclosed
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders BAYLY CHRISTOPHER I (CA) 2003-12-18 — — US 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 (4 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 ALDH1A1 3969/4885ALOX15 3946/4885KYNU 2312/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ALDH1A1 4582/4885ALOX15 2838/4885KYNU 1990/4885
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders CTSE, CTSB, CTSS ALDH1A1 3635/4885ALOX15 1592/4885KYNU 236/4885
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 ALDH1A1 3683/4885ALOX15 1761/4885KYNU 260/4885

“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.