SCHEMBL6323494

SCHEMBL6323494

CCCCN(C(C)CS)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.48
MMP1 P03956 4/20 0.48
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 1/20 0.45
CNR2 P34972 1/20 0.44
BMP1 P13497 4/20 0.44
MMP8 P22894 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6323497 1.00 MMP13 (0.48) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6323749 0.87 KEAP1 (0.48) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6323745 0.87 KEAP1 (0.48) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6322266 0.86 CA12 (0.48) MMP13MMP1MMP8CA1CA2
SCHEMBL6324332 0.82 MMP13 (0.51) MMP13MMP1KEAP1NFE2L2BMP1
SCHEMBL6324327 0.82 MMP13 (0.51) MMP13MMP1KEAP1NFE2L2BMP1
SCHEMBL6324192 0.80 CNR2 (0.53) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6330875 0.78 TAS2R14 (0.58) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6323924 0.78 TAS2R14 (0.58) MMP13MMP1KEAP1NFE2L2CNR2
SCHEMBL6323929 0.78 TAS2R14 (0.58) MMP13MMP1KEAP1NFE2L2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 MMP13 2/4885MMP1 13/4885KEAP1 1604/4885

“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.