SCHEMBL5096735

SCHEMBL5096735

CC(C[CH]C(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN3A Q9NY46 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
SCHEMBL4687324 0.87 ALDH1A1 (0.41) ALDH1A1SIGMAR1KDM4E
SCHEMBL5096703 0.82 ALDH1A1 (0.41) PKMNPC1ALDH1A1NPSR1SIGMAR1
SCHEMBL6403087 0.81 PTPN1 (0.41)
SCHEMBL5096736 0.81 KMT2A (0.45) KMT2AMEN1PKMNPC1ALDH1A1
SCHEMBL4902762 0.81 RAB9A (0.41) KMT2AMEN1NPC1NPSR1KDM4E
SCHEMBL5092918 0.81 KMT2A (0.43) KMT2AMEN1PKMALDH1A1MAPK1
SCHEMBL5099657 0.80 LMNA (0.39) KMT2AALDH1A1MAPK1POLBKDM4E
SCHEMBL5099688 0.80 ACHE (0.34) KMT2AMEN1
SCHEMBL5105413 0.79 HSD11B1 (0.35) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL5098964 0.78 BIRC2 (0.37)

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 9 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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 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-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
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

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 KMT2A 2920/4885MEN1 2054/4885PKM 1809/4885
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 2410/4885MEN1 3396/4885PKM 1315/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MEN1 2054/4885PKM 1809/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MEN1 2054/4885PKM 1809/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885MEN1 2054/4885PKM 1809/4885

“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.