SCHEMBL9952113

SCHEMBL9952113

CCOS(=O)(=O)c1cc(Cl)cc(S(=O)(=O)OCC)c1-c1c(S(=O)(=O)OCC)cc(Cl)cc1S(=O)(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MAPT P10636 2/20 0.34
ALPL P05186 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
CA9 Q16790 1/20 0.31
CNR2 P34972 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
SCHEMBL811604 0.82 TSHR (0.43) TSHRL3MBTL1MAPTALPLHTT
SCHEMBL9951337 0.80 CA1 (0.32) L3MBTL1CA1CA2F2PRSS1
SCHEMBL15759864 0.79 SOD1 (0.36) TSHRCA1CA2LMNA
SCHEMBL9950188 0.76 TRPV4 (0.38) TSHRL3MBTL1CA1CA2ALPL
SCHEMBL1240284 0.75 TSHR (0.38) TSHRL3MBTL1MAPTALPLHTT
SCHEMBL8712194 0.73 HSD11B1 (0.43) TSHRL3MBTL1HTTKDM4EF2
SCHEMBL10133627 0.73 CASR (0.33) CA1CA2F2PRSS1PRSS2
SCHEMBL9950501 0.72
SCHEMBL9950505 0.72 CASR (0.33) CA1CA2
SCHEMBL29415266 0.71 GAA (0.39) TSHRL3MBTL1CA1CA2HTT

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 TSHR 992/4885L3MBTL1 3387/4885CA1 1594/4885

“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.