SCHEMBL18199060

SCHEMBL18199060

O=S1(=O)OCCCOCc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
KEAP1 Q14145 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
SCHEMBL18199067 0.97 TSHR (0.33) TSHRMEN1CYP1A2MAPTCYP2C9
SCHEMBL18199061 0.89 TSHR (0.34) TSHRMEN1CYP1A2MAPTCYP2C9
SCHEMBL18199066 0.81 TSHR (0.32) TSHR
SCHEMBL18199059 0.80 TSHR (0.32) TSHR
SCHEMBL5485323 0.79 GPR3 (0.36) MEN1CYP1A2CYP2C9KMT2AKEAP1
SCHEMBL14094067 0.76 PARP1 (0.34) TSHRMEN1CYP1A2MAPTCYP2C9
SCHEMBL18199074 0.73
SCHEMBL18202308 0.72 GPR3 (0.40) TSHRMEN1CYP1A2MAPTCYP2C9
SCHEMBL18199068 0.70
SCHEMBL18202307 0.67 KEAP1 (0.33) TSHRMEN1CYP1A2MAPTCYP2C9

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 TSHR 1361/4885MEN1 2015/4885CYP1A2 2708/4885

“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.