SCHEMBL6795800

SCHEMBL6795800

O=C(CCN(CCN1CCOCC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1)NO

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.69
MMP3 P08254 2/20 0.57
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6797049 0.91 BMP1 (0.71) BMP1MMP3CA12CA9CA1
SCHEMBL6794166 0.91 MMP3 (0.69) BMP1MMP3CA12CA9CA1
SCHEMBL6794190 0.85 MMP3 (0.54) BMP1MMP3CA12CA9CA1
SCHEMBL7004503 0.82 BMP1 (1.00) BMP1MMP3ALDH1A1GAAMMP13
SCHEMBL6795792 0.79 MMP13 (0.60) BMP1MMP3CA12CA9CA1
SCHEMBL6795796 0.79 MMP13 (0.60) BMP1MMP3CA12CA9CA1
SCHEMBL6796530 0.78 MMP3 (0.54) BMP1MMP3CA12CA9CA1
SCHEMBL6797063 0.78 MMP3 (0.50) BMP1MMP3CA12CA9CA1
SCHEMBL6796505 0.76 MMP2 (0.52) BMP1MMP3CA12CA9CA1
SCHEMBL6798645 0.74 MMP2 (0.61) BMP1MMP3CA12CA9CA1

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-0977745-B1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2004-12-01 EP disclosed
US-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds PHARMACIA CORPORATION 2004-02-19 US disclosed
US-6087359-A A MATRIX METALLOPROTEASE ENZYME INHIBITOR PHARMACIA CORPORATION 2000-07-11 US disclosed
EP-0977745-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-02-09 EP disclosed
WO-1998039313-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds MMP10, MMP1, MMP3 BMP1 2589/4885MMP3 3/4885CA12 309/4885

“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.