SCHEMBL3441205

SCHEMBL3441205

C=COC(=O)COS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3441107 0.80 TDP1 (0.49) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL166112 0.73
SCHEMBL3441325 0.73 TSHR (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL19506911 0.72 TDP1 (0.38) ALDH1A1TSHR
SCHEMBL10011406 0.71
SCHEMBL33444 0.70
SCHEMBL27498554 0.70
SCHEMBL3441164 0.70 GAA (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10012772 0.70 TDP1 (0.31)
SCHEMBL2697240 0.70 ALDH1A1 (0.39) USP2ALDH1A1LMNAALOX15TSHR

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
US-8580429-B2 Non-aqueous electrolyte for a lithium battery, lithium battery wherein said electrolyte is used, and hydroxy-acid derivative for use in said electrolyte UBE INDUSTRIES, LTD. (JP) 2013-11-12 US disclosed
EP-2251926-B1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY USING SAID ELECTROLYTE, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES (JP) 2013-09-11 EP disclosed
US-20110064998-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2011-03-17 US disclosed
EP-2251926-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE Ube Industries, Ltd. (JP) 2010-11-17 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-20110064998-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE HCN2, SLC9A1, SLC9B2 KDM4E 141/4885USP2 4764/4885ALDH1A1 640/4885

“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.