SCHEMBL6804953

SCHEMBL6804953

O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(SC2CCCCC2)cc1)NO

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.65
BMP1 P13497 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MMP1 P03956 3/20 0.41
MMP7 P09237 3/20 0.41
MMP8 P22894 3/20 0.41
MMP12 P39900 3/20 0.41
MMP13 P45452 3/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEP1B Q16820 1/20 0.39

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
SCHEMBL6797402 0.90 MMP3 (0.50) MMP3BMP1MEN1KMT2ACA12
SCHEMBL6794166 0.83 MMP3 (0.69) MMP3BMP1MEN1KMT2ACA12
SCHEMBL7350845 0.79 MMP3 (1.00) MMP3BMP1MEN1KMT2AALDH1A1
SCHEMBL6804956 0.79 MMP3 (0.40) MMP3BMP1MEN1KMT2ACA12
SCHEMBL6795800 0.74 BMP1 (0.69) MMP3BMP1MEN1KMT2ACA12
SCHEMBL6797049 0.74 BMP1 (0.71) MMP3BMP1MEN1KMT2ACA12
SCHEMBL6626956 0.73 MMP3 (0.75) MMP3BMP1ALDH1A1MMP1MMP7
Hydrochloric Acid SCHEMBL3938385 0.73 MMP3 (0.73) MMP3BMP1ALDH1A1MMP1MMP7
SCHEMBL7346814 0.72 MMP3 (1.00) MMP3BMP1CA9CA1MMP1
SCHEMBL6794190 0.72 MMP3 (0.54) MMP3BMP1MEN1KMT2ACA12

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
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

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 MMP3 3/4885BMP1 2589/4885MEN1 4264/4885

“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.