SCHEMBL4658192

SCHEMBL4658192

O=c1ccc2cc(OS(=O)(=O)O)c(O)c(O)c2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.66
CA9 Q16790 8/20 0.66
CA12 O43570 7/20 0.66
KDM4E B2RXH2 7/20 0.66
HSD17B10 Q99714 7/20 0.66
CA1 P00915 6/20 0.66
CA7 P43166 6/20 0.66
CA13 Q8N1Q1 6/20 0.66
ALDH1A1 P00352 6/20 0.66
HPGD P15428 6/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
CASP1 P29466 4/20 0.66
CASP7 P55210 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
ALOX15 P16050 3/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66

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
SCHEMBL3268639 0.88 CA12 (0.52) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL5130894 0.87 CA12 (0.51) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL30152059 0.85 CA9 (0.75) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL13979739 0.83 CA12 (0.47) MCL1CA9CA12KDM4EHSD17B10
Fraxetin SCHEMBL30010613 0.80 CA9 (1.00) MCL1CA9CA12KDM4EHSD17B10
Fraxetin SCHEMBL43472 0.80 CA9 (1.00) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL30152142 0.79 CA9 (0.66) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL4659348 0.79 GAA (0.57) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL13979740 0.77 CA9 (0.65) MCL1CA9CA12KDM4EHSD17B10
SCHEMBL10080881 0.76 KDM4E (0.66) MCL1CA9CA12KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763520-B1 USE OF TRISUBSTITUTED BENZOPYRANONES SCHWABE WILLMAR GMBH & CO (DE) 2008-12-17 EP disclosed
US-20080020068-A1 Use Of Trisubstituted Benzopyranones DR.WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-01-24 US disclosed
EP-1763520-A2 USE OF TRISUBSTITUTED BENZOPYRANONES Dr. Willmar Schwabe GmbH & Co. KG (DE) 2007-03-21 EP disclosed
WO-2006002918-A2 USE OF TRISUBSTITUTED BENZOPYRANONES DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2006-01-12 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-20080020068-A1 Use Of Trisubstituted Benzopyranones PTGS1, PTGES, NFKBIA MCL1 4198/4885CA9 4658/4885CA12 3626/4885

“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.