SCHEMBL3204650

SCHEMBL3204650

C=Cc1cccc(S(=O)(=O)O)c1Cc1c(C=C)cccc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MYC P01106 1/20 0.32
SLC9A1 P19634 1/20 0.32
ALDH1A1 P00352 2/20 0.31
FABP4 P15090 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK14 Q16539 1/20 0.31
NR4A1 P22736 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6553222 0.86 SLC9A1 (0.35) TTRTDP1CYP1A2KDM4ECYP2D6
Water SCHEMBL28846168 0.85 SLC9A1 (0.34) TTRTDP1CYP1A2KDM4ECYP2D6
SCHEMBL8991738 0.83 CA12 (0.35) TTRTDP1CYP1A2MYCSLC9A1
SCHEMBL8991792 0.82 CYP1A2 (0.37) TTRTDP1CYP1A2MYCSLC9A1
SCHEMBL8991773 0.81 CA12 (0.36) TTRTDP1CYP1A2KDM4EMYC
SCHEMBL8991753 0.80 CYP1A2 (0.35) TTRTDP1CYP1A2SLC9A1
SCHEMBL438031 0.79 TTR (0.40) TTRTDP1CYP1A2MYCSLC9A1
SCHEMBL2543853 0.79 TTR (0.40) TTRTDP1CYP1A2CYP2D6MYC
SCHEMBL29361804 0.79 TDP1 (0.44) TTRTDP1CYP1A2MYCSLC9A1
SCHEMBL15000 0.79 TDP1 (0.44) TTRTDP1CYP1A2MYCSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS TTR 3706/4885TDP1 3674/4885CYP1A2 337/4885

“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.