SCHEMBL9950008

SCHEMBL9950008

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
NSD2 O96028 1/20 0.35
MMP14 P50281 1/20 0.35
CASP6 P55212 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
ACLY P53396 5/20 0.31
WDR5 P61964 1/20 0.31
GAA P10253 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31

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
SCHEMBL9950188 0.88 TRPV4 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9951728 0.84 CA1 (0.43) CASRF2PRSS1PRSS2PRSS3
SCHEMBL9950648 0.82 CA1 (0.45) CASRF2PRSS1PRSS2PRSS3
SCHEMBL9950505 0.78 CASR (0.33) CASRNSD2MMP14CASP6CA1
SCHEMBL9950001 0.78 F2 (0.36) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10133627 0.76 CASR (0.33) CASRF2PRSS1PRSS2PRSS3
SCHEMBL5077891 0.73 CA1 (0.42) CASRF2PRSS1PRSS2PRSS3
SCHEMBL1993985 0.73 CA1 (0.42) CASRF2PRSS1PRSS2PRSS3
SCHEMBL5434170 0.71 CA1 (0.43) CASRF2PRSS1PRSS2PRSS3
SCHEMBL21309558 0.70 ACLY (0.48) F2PRSS1PRSS2PRSS3CA1

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 CASR 3749/4885F2 592/4885PRSS1 1819/4885

“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.