SCHEMBL5098746

SCHEMBL5098746

O=C(O)Cc1ccccc1S(=O)(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.58
MMP12 P39900 8/20 0.58
MMP13 P45452 8/20 0.58
MMP14 P50281 8/20 0.58
MMP9 P14780 7/20 0.58
MMP1 P03956 6/20 0.58
MMP3 P08254 6/20 0.58
MMP8 P22894 5/20 0.58
MMP16 P51512 5/20 0.58
AKR1B1 P15121 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
CXCL8 P10145 4/20 0.45
ALB P02768 2/20 0.45
AKR1B10 O60218 1/20 0.42
UGT1A9 O60656 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
UGT1A6 P19224 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
SCHEMBL6026006 0.84 MAPK1 (0.46) MMP2MMP12MMP13MMP14MMP9
SCHEMBL20565283 0.83 MMP2 (0.41) MMP2MMP12MMP13MMP14MMP9
SCHEMBL1508334 0.82 MMP2 (0.60) MMP2MMP12MMP13MMP14MMP9
SCHEMBL6069328 0.81 MMP2 (0.58) MMP2MMP12MMP13MMP14MMP9
SCHEMBL10362231 0.81 AKR1B1 (0.59) MMP2MMP12MMP13MMP14MMP9
SCHEMBL5016645 0.81 MMP2 (0.58) MMP2MMP12MMP13MMP14MMP9
SCHEMBL167924 0.79 MMP2 (0.57) MMP2MMP12MMP13MMP14MMP9
Trichloroethane SCHEMBL11723692 0.79 MMP2 (0.53) MMP2MMP12MMP13MMP14MMP9
SCHEMBL5680692 0.78 BCL2 (0.45) TDP1ALDH1A1
SCHEMBL6479739 0.78 MMP2 (0.55) MMP2MMP12MMP13MMP14MMP9

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 20 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-7312266-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-12-25 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-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US disclosed
US-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2005-03-03 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-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 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
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
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 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 (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 MMP2 24/4885MMP12 13/4885MMP13 2/4885
US-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers TST, LANCL1, TTPA MMP2 4736/4885MMP12 4480/4885MMP13 4854/4885
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 MMP2 37/4885MMP12 14/4885MMP13 7/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP2 24/4885MMP12 13/4885MMP13 2/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP2 24/4885MMP12 13/4885MMP13 2/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP2 24/4885MMP12 13/4885MMP13 2/4885

“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.