SCHEMBL6293290

SCHEMBL6293290

CCc1nc2c(c(C)nn2-c2ccccc2)c(NCc2cccnc2S(=O)(=O)c2ccc(OC)cc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
NR3C1 P04150 2/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6290539 0.85 NR3C1 (0.51) CFTRMMP1MMP9MMP13ADAM17
SCHEMBL7010835 0.77 MMP1 (0.43) MMP1MMP9MMP13ADAM17NR3C1
SCHEMBL6289450 0.76 MMP1 (0.48) MMP1MMP9MMP13ADAM17NR3C1
SCHEMBL6293289 0.76 MMP1 (0.45) CFTRMMP1MMP9MMP13ADAM17
SCHEMBL7319926 0.76 MMP2 (0.43) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7009816 0.75 MMP1 (0.41) MMP1MMP9MMP13ADAM17NR3C1
SCHEMBL7010019 0.75 MMP13 (0.39) MMP1MMP9MMP13ADAM17NR3C1
SCHEMBL6289420 0.74 MMP1 (0.49) MMP1MMP9MMP13ADAM17NR3C1
SCHEMBL7325340 0.74 HCAR2 (0.47) MMP1MMP9MMP13ADAM17HPGD
SCHEMBL6289977 0.73 GAA (0.49) MMP1MMP9MMP13ADAM17NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP disclosed
US-6548524-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-6534491-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY 2003-03-18 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
US-6498167-B2 NITROGEN CONTAINING BICYCLIC HETEROAROMATIC COMPOUND CONTAINING SULFONAMIDE AND HYDROXYAMIDE GROUPS, USEFUL IN TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, BONE DISEASE AND HIV INFECTIONS AMERICAN CYANAMID COMPANY 2002-12-24 US disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
US-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2002-09-19 US disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 US disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2001-09-27 US disclosed
US-6228869-B1 ANTITUMOR, ANTIMETASTASIS, ANTIARTHRITIC, AND WOUND HEALING AGENTS; QUINOLINE AND ISOQUINOLINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-05-08 US disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 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 (4 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-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, OGFR CFTR 2166/4885MMP1 50/4885MMP9 33/4885
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 CFTR 3767/4885MMP1 208/4885MMP9 432/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 CFTR 2531/4885MMP1 40/4885MMP9 21/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 CFTR 1800/4885MMP1 51/4885MMP9 26/4885

“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.