SCHEMBL2521500

SCHEMBL2521500

O=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.O=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.O=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[CaH2].[CaH2].[CaH2]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
ACLY P53396 3/20 0.33
CPT2 P23786 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1129741 0.97 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL11776041 0.95 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL28489478 0.95 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL10887081 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6634867 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL6561842 0.72 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6570219 0.70 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Citric Acid SCHEMBL27680154 0.70 ALDH1A1 (0.75) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Citric Acid SCHEMBL5464340 0.70 ALDH1A1 (0.75) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL18798923 0.70 ACLY (0.38) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9118062-B2 Anode and method of manufacturing the same, and battery and method of manufacturing the same SONY CORPORATION (JP) 2015-08-25 US claimed
US-RE45310-E1 Cathode active material, cathode therewith and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2014-12-30 US claimed
US-20080311472-A1 ANODE AND METHOD OF MANUFACTURING THE SAME, AND BATTERY AND METHOD OF MANUFACTURING THE SAME SONY CORPORATION (JP) 2008-12-18 US claimed
US-9118062-B2 Anode and method of manufacturing the same, and battery and method of manufacturing the same SONY CORPORATION (JP) 2015-08-25 US disclosed
US-RE45310-E1 Cathode active material, cathode therewith and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2014-12-30 US disclosed
US-8377589-B2 Cathode active material, cathode therewith and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-02-19 US disclosed
US-8349489-B2 Cathode active material, cathode therewith and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-01-08 US disclosed
US-20120231335-A1 CATHODE ACTIVE MATERIAL, CATHODE THEREWITH AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2012-09-13 US disclosed
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 US disclosed
US-20090202905-A1 CATHODE ACTIVE MATERIAL, CATHODE THEREWITH AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2009-08-13 US disclosed
US-20090169985-A1 ELECTROLYTIC SOLUTION, SECONDARY BATTERY AND METHOD OF MANUFACTURING SAME, AND SULFONE COMPOUND SONY CORPORATION (JP) 2009-07-02 US disclosed
US-20080311472-A1 ANODE AND METHOD OF MANUFACTURING THE SAME, AND BATTERY AND METHOD OF MANUFACTURING THE SAME SONY CORPORATION (JP) 2008-12-18 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-20090169985-A1 ELECTROLYTIC SOLUTION, SECONDARY BATTERY AND METHOD OF MANUFACTURING SAME, AND SULFONE COMPOUND CA12, CA1, STS ALDH1A1 502/4885CYP2D6 2865/4885TSHR 3173/4885

“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.