SCHEMBL6323745

SCHEMBL6323745

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 1/20 0.48
MMP13 P45452 6/20 0.47
MMP8 P22894 4/20 0.47
MMP1 P03956 3/20 0.47
MMP7 P09237 3/20 0.47
MMP12 P39900 3/20 0.47
CNR2 P34972 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
BMP1 P13497 4/20 0.46
MMP9 P14780 3/20 0.44
MMP2 P08253 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6323749 1.00 KEAP1 (0.48) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL6323494 0.87 MMP13 (0.48) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL6323497 0.87 MMP13 (0.48) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL6324383 0.86 MMP3 (0.50) MMP13MMP8MMP1MMP9MMP2
SCHEMBL6324192 0.83 CNR2 (0.53) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL6331628 0.82 MMP13 (0.53) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL6331630 0.82 MMP13 (0.53) KEAP1NFE2L2MMP13MMP8MMP1
SCHEMBL13979922 0.80 CNR2 (0.61) KEAP1MMP13MMP8MMP1MMP7
SCHEMBL6324153 0.78 TAS2R14 (0.61) KEAP1NFE2L2MMP13MMP8CNR2
SCHEMBL6325795 0.78 TAS2R14 (0.61) KEAP1NFE2L2MMP13MMP8CNR2

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 KEAP1 1604/4885NFE2L2 2938/4885MMP13 2/4885

“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.