SCHEMBL10133622

SCHEMBL10133622

Nc1c(S(=O)(=O)O)cc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
NSD2 O96028 1/20 0.40
MMP14 P50281 1/20 0.40
CASP6 P55212 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA4 P22748 1/20 0.39
APEX1 P27695 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL1957301 0.91 CA1 (0.52) CA1CA2NSD2MMP14CASP6
SCHEMBL8990126 0.86 CA1 (0.39) CA1CA2NSD2MMP14CASP6
SCHEMBL9660935 0.82 POLB (0.38) CA1CA2NSD2MMP14CASP6
SCHEMBL9950648 0.82 CA1 (0.45) CA1CA2NSD2MMP14CASP6
SCHEMBL8102490 0.81 CA1 (0.39) CA1CA2NSD2MMP14CASP6
SCHEMBL11407072 0.80 CYP3A4 (0.47) CA1CA2NSD2MMP14CASP6
SCHEMBL176850 0.80 CA1 (0.50) CA1CA2NSD2MMP14CASP6
SCHEMBL9951728 0.80 CA1 (0.43) CA1CA2NSD2MMP14CASP6
SCHEMBL5434170 0.80 CA1 (0.43) CA1CA2NSD2MMP14CASP6
SCHEMBL1270607 0.80 ALDH1A1 (0.53) NSD2CASP6APEX1CYP2C19ALDH1A1

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-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 US disclosed
US-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE ARSA, PDXK, AIPL1 CA1 1594/4885CA2 2317/4885NSD2 4734/4885

“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.