SCHEMBL5839717

SCHEMBL5839717

COc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.92
MMP2 P08253 10/20 0.92
MMP3 P08254 7/20 0.92
MMP13 P45452 7/20 0.92
MMP1 P03956 6/20 0.92
MMP7 P09237 6/20 0.92
MMP8 P22894 1/20 0.92
SLC1A3 P43003 1/20 0.74
SLC1A2 P43004 1/20 0.74
SLC1A1 P43005 1/20 0.74
ADAMTS4 O75173 7/20 0.73
MMP14 P50281 1/20 0.63

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
SCHEMBL2161452 1.00 MMP9 (0.92) MMP9MMP2MMP3MMP13MMP1
SCHEMBL2161549 1.00 MMP9 (0.92) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7761520 0.96 MMP2 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7761532 0.96 MMP2 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7341651 0.90 MMP2 (0.75) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7341649 0.90 MMP2 (0.75) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7341646 0.90 MMP2 (0.75) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6723663 0.88 MMP9 (0.72) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6723666 0.88 MMP9 (0.72) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7347163 0.88 MMP9 (0.72) MMP9MMP2MMP3MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US disclosed
EP-1140846-B1 ASPARTIC PROTEASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-04-05 EP disclosed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US disclosed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 US disclosed
EP-0891328-B1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-08-13 EP disclosed
EP-1140846-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-10 EP disclosed
EP-0766672-B1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2000-10-04 EP disclosed
US-6114372-A MATRIX METALLOPROTEINASE (MMP); TUMOR NECROSIS FACTOR(TNF); COMPOUNDS SUCH AS N2-((2S)-ACETYLMERCAPTO)ACETYL-5-PHTHALIMIDOPENTANOYL)-N1-((4 -METHOXYBENZENE)SULPHONYL)-N1-(PHENYLMETHYL)HYDRAZINE DARWIN DISCOVERY LIMITED (GB) 2000-09-05 US disclosed
WO-2000040558-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-13 WO disclosed
EP-0891328-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 1999-01-20 EP disclosed
WO-1997037973-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1997-10-16 WO disclosed
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
EP-0766672-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS Novartis AG (CH) 1997-04-09 EP disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
WO-1996000214-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS CIBA-GEIGY AG (CH) 1996-01-04 WO disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP 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 (1 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-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP MMP9 155/4885MMP2 176/4885MMP3 104/4885

“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.