SCHEMBL6797402

SCHEMBL6797402

O=C(O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(SC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.50
BMP1 P13497 1/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR7 P34969 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL6804953 0.90 MMP3 (0.65) MMP3BMP1CA12CA9CA1
SCHEMBL6794190 0.83 MMP3 (0.54) MMP3BMP1CA12CA9CA1
SCHEMBL6804956 0.81 MMP3 (0.40) MMP3BMP1CA12CA9CA1
SCHEMBL6794166 0.73 MMP3 (0.69) MMP3BMP1CA12CA9CA1
SCHEMBL6795800 0.69 BMP1 (0.69) MMP3BMP1CA12CA9CA1
SCHEMBL8167518 0.68 USP5 (0.36) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL7350845 0.67 MMP3 (1.00) MMP3BMP1ALDH1A1GAAMEN1
SCHEMBL6797049 0.66 BMP1 (0.71) MMP3BMP1CA12CA9CA1
SCHEMBL7341155 0.66 MMP3 (0.73) MMP3BMP1CA12CA9CA1
SCHEMBL10001941 0.65 GLA (0.56) ALDH1A1KDM4EGAASMN1; SMN2KMT2A

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 MMP3 3/4885BMP1 2589/4885CA12 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.