SCHEMBL6694069

SCHEMBL6694069

CC#CCOc1ccc(SC2(C(=O)NO)CCN(Cc3ccc(Br)cc3)CC2)cc1.CC#CCOc1ccc(SC2(C(=O)NO)CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 18/20 0.62
▸ MMP13 P45452 14/20 0.62
▸ MMP1 P03956 10/20 0.62
▸ MMP9 P14780 7/20 0.62
▸ MMP2 P08253 4/20 0.51
▸ MMP14 P50281 2/20 0.51

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
SCHEMBL3948423 0.95 ADAM17 (0.68) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3949527 0.88 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6267645 0.82 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7394890 0.77 ADAM17 (0.52) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6265558 0.77 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL3949307 0.76 MMP13 (0.67) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6268549 0.74 ADAM17 (0.52) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6268734 0.73 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6263128 0.73 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3948394 0.73 ADAM17 (0.67) ADAM17MMP13MMP1MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP claimed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO claimed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 — — US disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 ADAM17 9/4885MMP13 246/4885MMP1 215/4885

“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.

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