SCHEMBL4173740

SCHEMBL4173740

COc1ccc(S(=O)(=O)NCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.67
ALDH1A1 P00352 6/20 0.63
PKM P14618 1/20 0.63
MAPT P10636 1/20 0.62
MMP1 P03956 3/20 0.61
GAA P10253 2/20 0.61
MMP12 P39900 1/20 0.61
TSHR P16473 1/20 0.61
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
MMP13 P45452 2/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP8 P22894 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MMP3 P08254 1/20 0.58
MMP7 P09237 1/20 0.58
POLB P06746 1/20 0.57
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL8446269 0.91 MEP1B (0.58) MEP1BALDH1A1PKMMAPTMMP1
SCHEMBL6324179 0.87 MEP1B (0.67) MEP1BALDH1A1PKMMMP1GAA
SCHEMBL7383813 0.87 ALDH1A1 (0.71) MEP1BALDH1A1PKMMMP1GAA
SCHEMBL4824911 0.87 HSD17B10 (0.67) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL8425825 0.84 MAPT (0.60) MEP1BALDH1A1MAPTPOLBNPSR1
SCHEMBL2945763 0.84 ALDH1A1 (0.69) MEP1BALDH1A1PKMMAPTGAA
SCHEMBL7410575 0.84 MEP1B (0.91) MEP1BMMP1MMP12MMP2MMP9
SCHEMBL25202175 0.83 F3 (0.63) MEP1BALDH1A1MAPTNPC1RAB9A
SCHEMBL4832503 0.83 MEP1B (0.49) MEP1BALDH1A1PKMMAPTMMP1
SCHEMBL7674957 0.82 GAA (0.59) MEP1BALDH1A1PKMMAPTMMP1

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-12383535-B2 Hydrogen peroxide-responsive KEAP1-NRF2 ppi inhibitor prodrug, and preparation method therefor CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-08-12 US disclosed
CN-117623996-A Bivalent KEAP1-NRF2 inhibitor, preparation method and medical application thereof 中国药科大学 2024-03-01 CN disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
US-20220401419-A1 HYDROGEN PEROXIDE-RESPONSIVE KEAP1-NRF2 PPI INHIBITOR PRODRUG, AND PREPARATION METHOD THEREFOR CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-12-22 US disclosed
CN-112367983-A 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction 伊利诺伊大学评议会 2021-02-12 CN disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20220401419-A1 HYDROGEN PEROXIDE-RESPONSIVE KEAP1-NRF2 PPI INHIBITOR PRODRUG, AND PREPARATION METHOD THEREFOR KEAP1, NFE2L2, HMOX1 MEP1B 3949/4885ALDH1A1 843/4885PKM 859/4885
US-12383535-B2 Hydrogen peroxide-responsive KEAP1-NRF2 ppi inhibitor prodrug, and preparation method therefor KEAP1, NFE2L2, HMOX1 MEP1B 3949/4885ALDH1A1 843/4885PKM 859/4885
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI MEP1B 3750/4885ALDH1A1 4832/4885PKM 3645/4885
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR MEP1B 34/4885ALDH1A1 3336/4885PKM 1416/4885

“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.