SCHEMBL7018255

SCHEMBL7018255

Cc1c(CC(C(=O)O)=S(=O)=O)sc2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
PFKFB3 Q16875 4/20 0.41
PFKFB4 Q16877 4/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ROCK1 Q13464 3/20 0.39
CMA1 P23946 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXAS1 P24557 1/20 0.37
HTR6 P50406 1/20 0.36
MCL1 Q07820 1/20 0.35

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
Tianafac SCHEMBL2109723 0.84 MAPT (0.67) MAPTPFKFB3PFKFB4KEAP1NFE2L2
SCHEMBL10091955 0.73 MAPT (0.56) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL14435191 0.72 MAPT (0.56) MAPTPFKFB3PFKFB4KEAP1NFE2L2
SCHEMBL11256326 0.71 MAPT (0.54) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL6984802 0.71 MAPT (0.54) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL122587 0.70 GPR35 (0.58) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL14218140 0.70 MAPT (0.54) MAPTNPSR1
SCHEMBL1253215 0.69 MAPT (0.56) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL1253216 0.69 MAPT (0.52) MAPTPFKFB4ROCK1CMA1NPSR1
Hydrochloric Acid SCHEMBL9050783 0.69 MAPT (0.49) MAPT

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH MAPT 4719/4885PFKFB3 2877/4885PFKFB4 2630/4885

“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.