SCHEMBL6502886

SCHEMBL6502886

CC#CCOc1ccc(S(=O)(=O)N(Cc2cccnc2)N(O)C(=O)C2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.58
MMP13 P45452 10/20 0.58
MMP9 P14780 9/20 0.58
MMP1 P03956 8/20 0.58
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CXCR3 P49682 1/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.41
MMP2 P08253 2/20 0.40
MMP8 P22894 2/20 0.40
MMP7 P09237 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40

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
Acetohydroxamic Acid SCHEMBL3940028 0.79 ADAM17 (0.64) ADAM17MMP13MMP9MMP1PSEN1
SCHEMBL7397646 0.79 MMP13 (0.52) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL3940026 0.78 MMP9 (0.62) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6499171 0.76 MMP9 (0.81) ADAM17MMP13MMP9MMP1CXCR3
SCHEMBL6501401 0.74 MMP9 (0.65) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL3940955 0.74 ADAM17 (0.64) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6625851 0.74 MMP13 (1.00) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6506710 0.73 MMP9 (0.76) ADAM17MMP13MMP9MMP1CXCR3
Hydrochloric Acid SCHEMBL3938354 0.73 MMP13 (0.98) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6498854 0.72 MMP9 (0.62) ADAM17MMP13MMP9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US 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-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAM17 30/4885MMP13 115/4885MMP9 161/4885

“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.