SCHEMBL9951728

SCHEMBL9951728

O=S(=O)(O)c1cc(Cl)cc(S(=O)(=O)O)c1-c1c(S(=O)(=O)O)cc(Cl)cc1S(=O)(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NSD2 O96028 1/20 0.42
MMP14 P50281 1/20 0.42
CASP6 P55212 1/20 0.42
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ACLY P53396 3/20 0.37
CASR P41180 5/20 0.36
TSHR P16473 2/20 0.35
ACP1 P24666 1/20 0.34
TPMT P51580 1/20 0.33
PGAM1 P18669 1/20 0.33
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9950648 0.97 CA1 (0.45) CA1CA2NSD2MMP14CASP6
SCHEMBL5077891 0.87 CA1 (0.42) CA1CA2NSD2MMP14CASP6
SCHEMBL1993985 0.87 CA1 (0.42) CA1CA2NSD2MMP14CASP6
SCHEMBL5434170 0.84 CA1 (0.43) CA1CA2NSD2MMP14CASP6
SCHEMBL9950008 0.84 CASR (0.36) CA1CA2NSD2MMP14CASP6
SCHEMBL9950644 0.83 CA1 (0.39) CA1CA2NSD2MMP14CASP6
SCHEMBL10674455 0.81 CA1 (0.47) CA1CA2NSD2MMP14CASP6
SCHEMBL10133622 0.80 CA1 (0.45) CA1CA2NSD2MMP14CASP6
SCHEMBL10133590 0.80 CA1 (0.41) CA1CA2NSD2MMP14CASP6
SCHEMBL1648602 0.80 CA1 (0.66) CA1CA2NSD2MMP14CASP6

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-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.