SCHEMBL3024441

SCHEMBL3024441

CC(CNc1ccc(OC(F)(F)F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.59
CTSK P43235 14/20 0.51
CTSL P07711 6/20 0.51
FPR2 P25090 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3024444 1.00 CTSS (0.59) CTSSCTSKCTSLFPR2TP53
SCHEMBL14020921 0.85 CTSS (0.70) CTSSCTSKCTSL
SCHEMBL4800562 0.85 CTSS (0.70) CTSSCTSKCTSL
Hydrochloric Acid SCHEMBL14110438 0.84 CTSK (0.60) CTSSCTSKCTSL
Hydrochloric Acid SCHEMBL14110440 0.84 CTSK (0.60) CTSSCTSKCTSL
SCHEMBL4971768 0.82 CTSK (0.46) CTSSCTSKCTSLFPR2TP53
SCHEMBL14156388 0.82 CTSS (0.54) CTSSCTSKCTSL
SCHEMBL4796774 0.80 CTSS (0.56) CTSSCTSKCTSL
SCHEMBL4797556 0.80 CTSS (0.56) CTSSCTSKCTSL
SCHEMBL3024781 0.77 CTSS (0.67) CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7507755-B2 Inhibitors of cathepsin s IRM LLC (BM) 2009-03-24 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 US disclosed
US-7256207-B2 Inhibitors of cathepsin S IRM LLC (BM) 2007-08-14 US disclosed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US disclosed
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate IRM LLC (BM) 2005-05-19 US disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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 (6 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate CTSS, CTSZ, CTSV CTSS 1/4885CTSK 7/4885CTSL 14/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885CTSK 10/4885CTSL 11/4885

“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.