SCHEMBL3052609

SCHEMBL3052609

Cn1ccc2cccc(S(=O)(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
HSD11B1 P28845 1/20 0.38
PTPN11 Q06124 1/20 0.38
FABP4 P15090 4/20 0.37
TTR P02766 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK14 Q16539 1/20 0.37
CMA1 P23946 1/20 0.36
NR4A1 P22736 1/20 0.36
SCN9A Q15858 1/20 0.34
CYP1A2 P05177 1/20 0.32
CASP6 P55212 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL15461563 0.84 PTPN11 (0.38) HSD11B1PTPN11CMA1SCN9ACA1
SCHEMBL9954422 0.82 CA2 (0.47) HSD11B1PTPN11CDK2CA1CA2
SCHEMBL9953261 0.82 PTPN11 (0.38) HSD11B1PTPN11FABP4CMA1SCN9A
SCHEMBL2443891 0.78 HSD11B1 (0.41) HSD11B1PTPN11CMA1SCN9A
SCHEMBL2904147 0.71 RORC (0.45) MYCHSD11B1FABP4TTRCYP1A2
SCHEMBL2052186 0.71 CYP1A2 (0.38) CDK2CMA1CYP1A2CA1CA2
SCHEMBL932002 0.69 NR4A1 (0.46) FABP4CMA1NR4A1
SCHEMBL30082300 0.69 NR4A1 (0.46) FABP4CMA1NR4A1
SCHEMBL19903069 0.69 CMA1 (0.38) CMA1
SCHEMBL3597395 0.69 KEAP1 (0.53) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
CN-101842367-A Heterocyclic compounds and pharmaceutical compositions thereof OTSUKA PHARMA CO LTD 2010-09-22 CN 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 MYC 862/4885HSD11B1 127/4885PTPN11 2540/4885

“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.