SCHEMBL7010479

SCHEMBL7010479

CCn1nc(-c2ccccc2)c2c(NCc3cccnc3S(=O)(=O)c3ccc(OC)cc3)c(C(=O)O)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
PDE5A O76074 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MMP13 P45452 5/20 0.35
MMP9 P14780 5/20 0.35
MMP2 P08253 5/20 0.35
MMP12 P39900 5/20 0.35
MMP1 P03956 4/20 0.35
MMP8 P22894 4/20 0.35
MMP14 P50281 4/20 0.35
MMP16 P51512 4/20 0.35
MMP3 P08254 3/20 0.35
ADAM17 P78536 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34

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
SCHEMBL7010518 0.91 PTGDR2 (0.41) PTGDR2PDE4BPDE4APDE4CPDE4D
SCHEMBL6289450 0.82 MMP1 (0.48) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL6290539 0.82 NR3C1 (0.51) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL7010019 0.80 MMP13 (0.39) PTGDR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7014456 0.80 MMP9 (0.40) PTGDR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7010835 0.79 MMP1 (0.43) PTGDR2PDE4BPDE4APDE4CPDE4D
SCHEMBL6289420 0.79 MMP1 (0.49) PDE5APDE4BMMP13MMP9MMP1
SCHEMBL7009816 0.78 MMP1 (0.41) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL7010476 0.77 TBXAS1 (0.40) PTGDR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7325340 0.77 HCAR2 (0.47) MMP13MMP9MMP2MMP12MMP1

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
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO claimed
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
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
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
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
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 (3 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 PTGDR2 628/4885PDE5A 4823/4885PDE4B 4821/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 PTGDR2 657/4885PDE5A 4815/4885PDE4B 4807/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 PTGDR2 629/4885PDE5A 4819/4885PDE4B 4816/4885

“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.