SCHEMBL1847769

SCHEMBL1847769

CCCCCCC(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 1.00
MMP9 P14780 12/20 1.00
MMP13 P45452 10/20 1.00
ADAM17 P78536 6/20 1.00
MMP2 P08253 8/20 0.67
MMP3 P08254 8/20 0.67
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MMP7 P09237 1/20 0.47

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
SCHEMBL6927179 1.00 MMP1 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6929323 0.95 MMP13 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6930723 0.90 MMP13 (0.82) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6929907 0.87 MMP1 (0.77) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7409682 0.86 MMP9 (0.74) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL27535890 0.86 MMP1 (0.75) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6931676 0.86 MMP1 (0.75) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6928909 0.86 MMP13 (0.75) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL27512626 0.86 MMP13 (0.75) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7346604 0.86 MMP13 (0.75) MMP1MMP9MMP13ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041181-B1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN (DE) 2011-05-18 EP claimed
US-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US claimed
EP-2041181-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY GSF-Forschungszentrum für Umwelt und Gesundheit GmbH (DE) 2009-04-01 EP claimed
WO-2007141029-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2007-12-13 WO claimed
WO-2004096206-A2 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND A TACE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-11 WO claimed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 US claimed
EP-2041181-B1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN (DE) 2011-05-18 EP disclosed
US-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US disclosed
EP-2041181-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY GSF-Forschungszentrum für Umwelt und Gesundheit GmbH (DE) 2009-04-01 EP disclosed
WO-2007141029-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2007-12-13 WO disclosed
EP-1865001-A1 Specific protease inhibitors and their use in cancer therapy GSF-FORSCHUNGSZENTRUM FÜR UMWELT UND GESUNDHEIT, GMBH (DE) 2007-12-12 EP 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 (2 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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS MMP1 67/4885MMP9 21/4885MMP13 87/4885
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 MMP1 16/4885MMP9 29/4885MMP13 18/4885

“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.