SCHEMBL14688596

SCHEMBL14688596

CCCCCCCCCCOO[P](=O)OOCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 7/20 0.40
LPAR3 Q9UBY5 3/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
NAAA Q02083 1/20 0.40
RECQL P46063 2/20 0.39
TSHR P16473 2/20 0.39
CES2 O00748 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL14688883 1.00 CA1 (0.40) CA1CA2CA9LPAR3CA12
SCHEMBL14688903 1.00 CA1 (0.40) CA1CA2CA9LPAR3CA12
SCHEMBL14689374 1.00 CA1 (0.40) CA1CA2CA9LPAR3CA12
SCHEMBL14688466 1.00 CA1 (0.40) CA1CA2CA9LPAR3CA12
SCHEMBL14688307 0.98 CA1 (0.38) CA1CA2CA9LPAR3CA12
SCHEMBL14689038 0.90 CYP3A4 (0.39) CA1CA2CA9TSHRHPGD
SCHEMBL4202207 0.85 LPAR3 (0.36) CA1CA2CA9LPAR3CA12
SCHEMBL28602596 0.82 THRB (0.44) CA1CA2CA9LPAR3CA12
SCHEMBL10492433 0.79 THRB (0.39) CA1CA2CA9LPAR3CA12
SCHEMBL14689491 0.79 CA1 (0.31) CA1CA2

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
EP-2565973-B1 NON-AQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME MITSUI CHEMICALS INC (JP) 2017-01-04 EP disclosed
US-9303011-B2 Nonaqueous electrolyte solution containing cyclic sulfone compound, and lithium secondary battery MITSUI CHEMICALS, INC. (JP) 2016-04-05 US disclosed
EP-2565973-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY Mitsui Chemicals, Inc. (JP) 2013-03-06 EP disclosed
US-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-02-14 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-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY TST, SULT1E1, STS CA1 45/4885CA2 139/4885CA9 79/4885

“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.