SCHEMBL18199062

SCHEMBL18199062

CC1(C)OCc2ccccc2S(=O)(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLCG1 P19174 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CDC25C P30307 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
MAPT P10636 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
SCHEMBL18202237 0.77 MEN1 (0.42) KMT2AMEN1LMNACYP1A2CYP2C9
SCHEMBL23664231 0.72 MAPT (0.38) KMT2AMAPTMAOA
SCHEMBL5485323 0.71 GPR3 (0.36) KMT2AMEN1LMNACYP1A2CYP2C9
SCHEMBL18199059 0.66 TSHR (0.32) MAOA
SCHEMBL18199063 0.66 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1
SCHEMBL4854732 0.64 SIGMAR1 (0.43) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL29625352 0.64 SIGMAR1 (0.43) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL14997801 0.64 MEN1 (0.50) KMT2AMEN1LMNACYP1A2CYP2C9
SCHEMBL18199061 0.64 TSHR (0.34) KMT2AMEN1CYP1A2CYP2C9MAPT
SCHEMBL18199068 0.64

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-20160322667-A1 CYCLIC SULFONIC ACID ESTER COMPOUND, NON-AQUEOUS ELECTROLYTE SOLUTION, AND LITHIUM ION SECONDARY BATTERY USING SAME NEC CORPORATION (JP) 2016-11-03 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-20160322667-A1 CYCLIC SULFONIC ACID ESTER COMPOUND, NON-AQUEOUS ELECTROLYTE SOLUTION, AND LITHIUM ION SECONDARY BATTERY USING SAME CA1, ASIC1, SLC9A1 KMT2A 1449/4885MEN1 2015/4885LMNA 3145/4885

“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.