SCHEMBL3012389

SCHEMBL3012389

N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.48
CTSL P07711 6/20 0.48
CTSK P43235 3/20 0.48
GRM5 P41594 2/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MC4R P32245 1/20 0.41
MGAT2 Q10469 1/20 0.40
ALOX5 P09917 2/20 0.39
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL27667528 1.00 CTSS (0.48) CTSSCTSLCTSKGRM5PRMT5
SCHEMBL28757581 0.79 CTSS (0.47) CTSSCTSLCTSKGRM5PRMT5
SCHEMBL28757580 0.79 CTSS (0.47) CTSSCTSLCTSKGRM5PRMT5
SCHEMBL28757582 0.77 CTSS (0.52) CTSSCTSLCTSKGRM5ALOX5
SCHEMBL5364339 0.77 GRM5 (0.42) CTSSCTSLCTSKGRM5MGAT2
SCHEMBL4799869 0.77 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL3894598 0.77 CTSS (0.59) CTSSCTSLCTSKGRM5
SCHEMBL3894605 0.77 CTSS (0.59) CTSSCTSLCTSKGRM5
SCHEMBL5352710 0.76 NOTUM (0.48) CTSSCTSLCTSK
SCHEMBL905724 0.73 HTR2C (0.62) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 US claimed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US claimed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US claimed
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
CN-100478331-C Inhibitors of cathepsin s IRM LLC (BM) 2009-04-15 CN disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 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-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 US disclosed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US disclosed
CN-1871216-A Inhibitors of cathepsin s IRM LLC (BM) 2006-11-29 CN disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 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 (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 1/4885CTSL 11/4885CTSK 9/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885CTSL 11/4885CTSK 10/4885
US-20070123523-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.