SCHEMBL6429970

SCHEMBL6429970

O=C(O)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.56
MMP1 P03956 4/20 0.56
MMP13 P45452 2/20 0.56
MMP8 P22894 3/20 0.52
MMP9 P14780 3/20 0.52
MMP2 P08253 2/20 0.52
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.49
LMNA P02545 6/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 1/20 0.47
MMP7 P09237 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6429974 1.00 MMP3 (0.56) MMP3MMP1MMP13MMP8MMP9
SCHEMBL3708412 0.93 LMNA (0.55) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6336157 0.88 MMP1 (0.74) MMP3MMP1MMP13MMP8MMP9
SCHEMBL7763806 0.88 MMP1 (0.74) MMP3MMP1MMP13MMP8MMP9
SCHEMBL5090949 0.84 MMP1 (0.77) MMP3MMP1MMP13MMP8MMP9
SCHEMBL6434571 0.80 MMP1 (0.56) MMP3MMP1MMP13MMP8MMP9
SCHEMBL6340056 0.80 MMP1 (0.76) MMP3MMP1MMP13MMP8MMP9
SCHEMBL27488462 0.79 MMP9 (0.56) MMP3MMP1MMP13MMP8MMP9
SCHEMBL6506041 0.77 MMP13 (0.80) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL3915571 0.76 MMP1 (0.78) MMP3MMP1MMP13MMP8MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1207289-C Metalloprotease inhibitors, pharmaceutical compositions containing them and their use as medicaments, process and intermediates for their preparation AGOURON PHARMA (US) 2005-06-22 CN disclosed
US-6849732-B2 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
EP-1095936-B1 Intermediates useful for the preparation of metallproteinase inhibitors AGOURON PHARMA (US) 2004-11-24 EP disclosed
CN-1542002-A Inhibitors of metalloproteinase, pharmaceutical compositions containing them, their pharmaceutical application and methods and intermediate compounds for their preparation ������ҩ�����޹�˾ 2004-11-03 CN disclosed
US-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2003-07-10 US disclosed
US-6500948-B1 SUCH AS N-HYDROXY-4-(4-((PYRID-4-YL)OXY)BENZENESULFONYL)-2,2-DIMETHYL-TETRAHYDRO-2H -1,4-THIAZINE-3-CARBOXYLIC ACID AGOURON PHARMACEUTICALS, INC. 2002-12-31 US disclosed
EP-1095936-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2001-05-02 EP disclosed
US-6153757-A A PRODRUG, SALT OR SOLVATE AS ANTITUMOR AGENT AND ENZYME INHIBITOR FOR INHIBITING METALLOPROTEINASES, TUMOR NECROSIS FACTOR AGOURON PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
CN-1207734-A Metalloprotease inhibitors, pharmaceutical compositions containing them and their use as medicaments, process and intermediates for their preparation AGOURON PHARMA (US) 1999-02-10 CN disclosed
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 EP disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 WO 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-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation MMP9, MMP3, MMP2 MMP3 2/4885MMP1 5/4885MMP13 9/4885

“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.