SCHEMBL6323674

SCHEMBL6323674

COc1ccc(S(=O)(=O)N(Cc2cccnc2)CC(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.60
MMP2 P08253 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CXCR3 P49682 2/20 0.57
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
BACE1 P56817 1/20 0.52
MMP13 P45452 7/20 0.52
MMP1 P03956 6/20 0.52
ADAM17 P78536 5/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGES O14684 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.50

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
SCHEMBL7487333 0.89 MMP9 (0.57) MMP9MMP2ALDH1A1CXCR3PDE4A
SCHEMBL6321605 0.89 MMP9 (0.57) MMP9MMP2ALDH1A1CXCR3PDE4A
SCHEMBL6324161 0.86 TAS2R14 (0.66) CXCR3BACE1PTGESTAS2R14TAS2R8
SCHEMBL6326217 0.86 MMP9 (0.57) MMP9MMP2ALDH1A1CXCR3PDE4A
SCHEMBL26770391 0.84 MMP9 (0.55) MMP9MMP2ALDH1A1CXCR3PDE4A
SCHEMBL26770427 0.83 ALDH1A1 (0.73) MMP9MMP2ALDH1A1CXCR3PDE4A
SCHEMBL1169467 0.81 TAS2R14 (0.79) ALDH1A1CXCR3PTGESTAS2R14TAS2R8
SCHEMBL1614998 0.81 TAS2R14 (0.79) ALDH1A1CXCR3PTGESTAS2R14TAS2R8
SCHEMBL7340409 0.81 ALDH1A1 (0.75) MMP9MMP2ALDH1A1CXCR3MMP13
SCHEMBL13570527 0.81 ALDH1A1 (0.63) MMP9MMP2ALDH1A1CXCR3PDE4A

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 MMP9 11/4885MMP2 26/4885ALDH1A1 986/4885

“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.