SCHEMBL5096450

SCHEMBL5096450

NC1CCCN(S(=O)(=O)c2ccccc2F)CC1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL27575524 0.84 EPHX2 (0.47) EPHX2ALDH1A1KMT2AL3MBTL1ALOX5AP
SCHEMBL16679160 0.84 ALOX5AP (0.54) EPHX2ALDH1A1KMT2AL3MBTL1ALOX5AP
SCHEMBL16679159 0.84 ALOX5AP (0.54) EPHX2ALDH1A1KMT2AL3MBTL1ALOX5AP
SCHEMBL27568275 0.82 KMT2A (0.43) EPHX2ALDH1A1KMT2AL3MBTL1ALOX5AP
SCHEMBL5105403 0.81 LMNA (0.55) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL4222112 0.79 MAPT (0.66) KMT2AL3MBTL1LMNAGAAMEN1
SCHEMBL5105390 0.78 POLB (0.61) ALDH1A1KMT2APKMNPSR1MEN1
SCHEMBL5455308 0.76 KMT2A (0.53) EPHX2ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL14145059 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAGAAPKM
SCHEMBL5983316 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAGAAPKM

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-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
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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 EPHX2 3535/4885ALDH1A1 3651/4885KMT2A 2920/4885
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 EPHX2 3925/4885ALDH1A1 3117/4885KMT2A 2410/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ EPHX2 3535/4885ALDH1A1 3651/4885KMT2A 2920/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ EPHX2 3535/4885ALDH1A1 3651/4885KMT2A 2920/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ EPHX2 3535/4885ALDH1A1 3651/4885KMT2A 2920/4885

“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.