SCHEMBL6325698

SCHEMBL6325698

COc1ccc(S(=O)(=O)N(C)CC(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.51
NFE2L2 Q16236 3/20 0.51
MMP1 P03956 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MMP7 P09237 2/20 0.48
MMP12 P39900 2/20 0.48
BMP1 P13497 1/20 0.48
ADAM17 P78536 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
PGR P06401 1/20 0.48
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6324820 0.85 LMNA (0.62) MMP1MMP8MMP13MMP2MMP3
SCHEMBL6330964 0.85 ADAM17 (0.52) MMP1MMP8MMP13MMP2MMP3
SCHEMBL6323224 0.84 ADAM17 (0.65) KEAP1NFE2L2MMP1MMP8MMP13
SCHEMBL6323461 0.82 CA12 (0.51) KEAP1NFE2L2MMP1MMP8MMP13
SCHEMBL6321482 0.82 ESR1 (0.53) ADAM17TAS2R14KDM4E
SCHEMBL6331632 0.82 TAS2R14 (0.56) KEAP1NFE2L2MMP1MMP8MMP13
SCHEMBL6325888 0.81 KMT2A (0.51) HPGDALDH1A1KDM4E
SCHEMBL6325897 0.80 MMP2 (0.60) KEAP1MMP13MMP2ADAM17
SCHEMBL6323688 0.79 ADAMTS4 (0.56) MMP1MMP8MMP13MMP2MMP3
SCHEMBL6324161 0.79 TAS2R14 (0.66) KEAP1BMP1TAS2R14BACE1

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 2938/4885MMP1 13/4885

“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.