SCHEMBL5138638

SCHEMBL5138638

CC(C)CC(N[C@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FOLH1 Q04609 2/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NTSR1 P30989 1/20 0.39
MMP3 P08254 2/20 0.39
ATM Q13315 2/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL5139134 0.91 TAS1R3 (0.43) MAPTNPSR1MAPK1POLBKMT2A
SCHEMBL5869900 0.86 FOLH1 (0.47) FOLH1GRNSORT1MMP1MMP9
SCHEMBL8248701 0.86 FOLH1 (0.47) FOLH1GRNSORT1MMP1MMP9
SCHEMBL7326560 0.74 REN (0.57) MAPTNPSR1MAPK1POLBATM
SCHEMBL9442931 0.74 REN (0.57) MAPTNPSR1MAPK1POLBATM
SCHEMBL9442952 0.74 REN (0.57) MAPTNPSR1MAPK1POLBATM
SCHEMBL5795645 0.74 TAS1R3 (0.48) MAPTNPSR1MAPK1POLBKMT2A
SCHEMBL5795647 0.74 TAS1R3 (0.48) MAPTNPSR1MAPK1POLBKMT2A
SCHEMBL16811747 0.74 UGT2B7 (0.50) MAPTKMT2AMEN1MMP9GABRB1
SCHEMBL5139244 0.74 MMP9 (0.42) ALDH1A1GRNSORT1MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885NPSR1 3498/4885MAPK1 2727/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE MAPT 1274/4885NPSR1 3611/4885MAPK1 2215/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885NPSR1 3498/4885MAPK1 2727/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885NPSR1 3498/4885MAPK1 2727/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885NPSR1 3498/4885MAPK1 2727/4885

“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.