SCHEMBL2166953

SCHEMBL2166953

COc1c(F)c(F)cc(C(=O)OCCO)c1F.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2168217 0.92 KMT2A (0.36) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL2166677 0.90 KMT2A (0.35) KMT2AGAAMEN1USP2TSHR
SCHEMBL2168118 0.84
Ethylene Glycol SCHEMBL2166957 0.84 FABP4 (0.33) KMT2AMEN1KDM4EHSD17B10
1,4-Butanediol SCHEMBL2168222 0.82 FABP4 (0.32) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2166780 0.82 KMT2A (0.39) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL2829961 0.82 KMT2A (0.42) KMT2AGAAUSP2TSHRALDH1A1
SCHEMBL2831392 0.79 KMT2A (0.47) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL2834707 0.79 KMT2A (0.51) KMT2AGAAMEN1TSHR
SCHEMBL2168120 0.79 FABP4 (0.34) KMT2AMEN1HSD17B10

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-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 KMT2A 2361/4885GAA 4111/4885MEN1 2002/4885

“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.