SCHEMBL4517757

SCHEMBL4517757

COc1ccccc1N(c1ccccc1OC)S(=O)(=O)c1cc(S(N)(=O)=O)cc2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
PTGES O14684 1/20 0.38
KMT2A Q03164 4/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GFER P55789 1/20 0.37
HCRTR1 O43613 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KAT6A Q92794 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL4517316 0.88 ESR1 (0.41) ESR1KMT2ACA12CA1CA2
SCHEMBL4511441 0.86 PTGES (0.40) ESR1PTGESCA12CA1CA2
SCHEMBL4505853 0.85 PTGES (0.46) ESR1PTGESKMT2ACA12CA1
SCHEMBL4503529 0.84 ESR1 (0.41) ESR1PTGESCA12CA1CA2
SCHEMBL4510070 0.83 PTGES (0.39) ESR1PTGESKMT2ASMN1; SMN2MEN1
SCHEMBL4510010 0.83 PTGES (0.36) ESR1PTGESKMT2AALPLALPI
SCHEMBL4506196 0.81 PTGES (0.42) PTGESCA12CA1CA2CA9
SCHEMBL4497864 0.80 ESR1 (0.42) ESR1PTGESCA1CA2KAT6A
SCHEMBL4508410 0.80 PTGES (0.41) ESR1PTGESKMT2AALPLALPI
SCHEMBL4494785 0.80 ESR1 (0.49) ESR1PTGESCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234014-A1 Naphthalene-Disulfonamides Useful for the Treatment of Inflammation BIOLIPOX AB (SE) 2009-09-17 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-20090234014-A1 Naphthalene-Disulfonamides Useful for the Treatment of Inflammation AREG, PRSS12, CXCL8 ESR1 1760/4885PTGES 41/4885KMT2A 4670/4885

“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.