SCHEMBL6434571

SCHEMBL6434571

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.56
MMP3 P08254 5/20 0.56
MMP13 P45452 3/20 0.56
MMP9 P14780 4/20 0.49
ADAM17 P78536 1/20 0.49
MMP2 P08253 2/20 0.46
KCNQ1 P51787 2/20 0.46
MMP8 P22894 3/20 0.45
MMP12 P39900 1/20 0.45
MMP14 P50281 1/20 0.45
MMP7 P09237 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7763806 0.83 MMP1 (0.74) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL6336157 0.83 MMP1 (0.74) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL7344951 0.83 MMP1 (0.46) MMP1MMP3MMP13MMP9MMP2
SCHEMBL6432038 0.82 MMP1 (0.60) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL6429974 0.80 MMP3 (0.56) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL6429970 0.80 MMP3 (0.56) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL7347544 0.76 MMP1 (0.57) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL7349146 0.76 MMP1 (0.57) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL3915571 0.76 MMP1 (0.78) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL6338959 0.76 MMP1 (0.94) MMP1MMP3MMP13MMP9ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MMP1 5/4885MMP3 2/4885MMP13 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.