Sugi Predict

Sugi Predict / Compounds / SCHEMBL2155871

SCHEMBL2155871

SCHEMBL2155871

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.72
▸ CTSL P07711 5/20 0.72
▸ CTSK P43235 12/20 0.56
▸ KYNU Q16719 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CTSB P07858 2/20 0.53
▸ CAPN1 P07384 1/20 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
SCHEMBL2157559 1.00 CTSS (0.72) CTSSCTSLCTSKKYNUALDH1A1
SCHEMBL4676547 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL2156842 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL4676541 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL2155030 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL2155026 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL18762607 0.91 CTSL (0.73) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL13611959 0.85 CTSK (0.74) CTSSCTSLCTSKKYNUCTSB
SCHEMBL3978105 0.85 CTSK (0.74) CTSSCTSLCTSKKYNUCTSB
SCHEMBL14609392 0.85 CTSK (0.74) CTSSCTSLCTSKKYNUCTSB

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 8 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 disclosed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 — — 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
US-7375134-B2 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 AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 — — US disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 — — US disclosed
WO-2005019161-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-03 — — WO 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 (2 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 CTSS 2/4885CTSL 8/4885CTSK 4/4885
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 CTSS 6/4885CTSL 2/4885CTSK 3/4885

“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.