SCHEMBL6336108

SCHEMBL6336108

CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)[C@H]1C(=O)NO

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.85
MMP13 P45452 15/20 0.85
MMP2 P08253 11/20 0.85
MMP3 P08254 11/20 0.85
MMP9 P14780 10/20 0.85
MMP7 P09237 9/20 0.85
MMP14 P50281 2/20 0.85
ADAM17 P78536 11/20 0.81
MMP8 P22894 6/20 0.81
ADAM10 O14672 2/20 0.67
ADAM9 Q13443 2/20 0.67

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
SCHEMBL3912779 0.92 MMP1 (0.85) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6344484 0.91 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7758653 0.91 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6338635 0.91 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6775441 0.90 MMP1 (0.82) MMP1MMP13MMP2MMP3MMP9
Prinomastat SCHEMBL3955053 0.90 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
Prinomastat SCHEMBL6801875 0.90 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
Prinomastat SCHEMBL115696 0.90 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6430094 0.89 MMP1 (0.71) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6430098 0.89 MMP1 (0.71) MMP1MMP13MMP2MMP3MMP9

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 9 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
US-5753653-A Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses AGOURON PHARMACEUTICALS, INC. (US) 1998-05-19 US 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 5/4885MMP13 9/4885MMP2 3/4885

“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.