SCHEMBL5099202

SCHEMBL5099202

CC(C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSK P43235 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 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
SCHEMBL6404947 0.92 CTSK (0.44) EPHX2CTSK
SCHEMBL5098737 0.92 ALDH1A1 (0.41) KMT2AMEN1EPHX2CTSKALDH1A1
SCHEMBL4767024 0.91 MEN1 (0.40) KMT2AMEN1CTSKGAANPSR1
SCHEMBL4767047 0.91 CTSK (0.42) CYP2C19TP53CTSK
SCHEMBL7434825 0.91 KMT2A (0.45) KMT2AMAPTCYP3A4CYP2C19TP53
SCHEMBL5093139 0.91 KMT2A (0.45) KMT2AMAPTCYP3A4CYP2C19TP53
SCHEMBL5096437 0.90 POLB (0.45) KMT2AMAPTMEN1PKMCTSK
SCHEMBL6631525 0.90 TSHR (0.45) EPHX2PKMKDM4ECTSKALDH1A1
SCHEMBL5105882 0.87 CTSK (0.41) CTSK
SCHEMBL5099273 0.85 CTSK (0.40) CTSKALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
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-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
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MAPT 902/4885CYP3A4 604/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP KMT2A 1833/4885MAPT 3645/4885CYP3A4 533/4885
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 KMT2A 2410/4885MAPT 1274/4885CYP3A4 1209/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MAPT 902/4885CYP3A4 604/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MAPT 902/4885CYP3A4 604/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MAPT 902/4885CYP3A4 604/4885

“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.