SCHEMBL7076739

SCHEMBL7076739

COC(=O)C1N(S(=O)(=O)c2ccc(OC)cc2)CC(C)(C)CN1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.77
MMP1 P03956 16/20 0.77
MMP9 P14780 15/20 0.77
MMP7 P09237 7/20 0.77
MMP12 P39900 1/20 0.77
MMP2 P08253 5/20 0.58
PKM P14618 1/20 0.54
MMP13 P45452 2/20 0.54
MMP8 P22894 2/20 0.53
ADAM17 P78536 6/20 0.52

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
SCHEMBL7080532 0.87 MMP3 (1.00) MMP3MMP1MMP9MMP7MMP12
SCHEMBL10118093 0.81 MMP3 (0.85) MMP3MMP1MMP9MMP7MMP12
SCHEMBL6229896 0.76 MMP1 (0.69) MMP3MMP1MMP9MMP7MMP2
SCHEMBL7080356 0.75 MMP1 (0.73) MMP3MMP1MMP9MMP7MMP12
SCHEMBL5343121 0.75 MMP3 (0.81) MMP3MMP1MMP9MMP7MMP12
SCHEMBL7992848 0.75 MMP1 (0.70) MMP3MMP1MMP9MMP7PKM
SCHEMBL8209517 0.74 MMP1 (0.76) MMP3MMP1MMP9MMP7PKM
SCHEMBL5342363 0.73 MMP3 (0.81) MMP3MMP1MMP9MMP7MMP12
SCHEMBL5342192 0.73 MMP3 (0.81) MMP3MMP1MMP9MMP7MMP12
SCHEMBL5338174 0.73 MMP3 (0.81) MMP3MMP1MMP9MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130271-A1 1,3-Diheterocyclic metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-10 US disclosed
EP-0927168-B1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-11-06 EP disclosed
US-6469000-B1 TREATING ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION AND GUM DISEASE THE PROCTER & GAMBLE CO. 2002-10-22 US disclosed
US-6465474-B1 TREATMENT OF SUCH AS OSTEOARTHITIS, RHEUMATOID ARTHRITIS, PREVENTION OR ARREST OF TUMOR GROWTH AND METASTASIS, CORNEAL ULCERATION, LACK OF CORNEAL HEALING, MACULAR DEGENERATION, PERIODONTAL DISEASE, GINGIVITIS THE PROCTER & GAMBLE COMPANY 2002-10-15 US disclosed
US-6150370-A 1,3-DINITROCYCLIC COMPOUND TREATS NUMEROUS DISEASES CAUSED BY UNDESIRED METALLOPROTEASE ACTIVITY, SUCH AS TUMOR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SKIN INFLAMMATION, ULCERATIONS, AND PERIODONTITIS THE PROCTER & GAMBLE COMPANY (US) 2000-11-21 US disclosed
EP-0927168-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008822-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 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-20030130271-A1 1,3-Diheterocyclic metalloprotease inhibitors ADAM17, TIMP3, MMP3 MMP3 3/4885MMP1 7/4885MMP9 5/4885

“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.