SCHEMBL13786936

SCHEMBL13786936

O=C1OC(=O)c2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.35
▸ TYMS P04818 1/20 0.33
▸ PKLR P30613 3/20 0.32
▸ TTR P02766 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GNG2 P59768 2/20 0.32
▸ GNB1 P62873 2/20 0.32
▸ TNNI3 P19429 2/20 0.31
▸ TNNT2 P45379 2/20 0.31
▸ TNNC1 P63316 2/20 0.31
▸ NSD2 O96028 2/20 0.31
▸ CASP6 P55212 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALPL P05186 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
SCHEMBL9241552 0.86 BRD4 (0.38) PGAM1TDP1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL28866293 0.84 PGAM1 (0.42) PGAM1TDP1ALOX15ALDH1A1TYMS
SCHEMBL6257174 0.82 HSD17B10 (0.41) PGAM1TDP1ALOX15ALDH1A1TYMS
SCHEMBL2855536 0.79 PGAM1 (0.48) PGAM1TDP1ALDH1A1PKLRTTR
SCHEMBL4882248 0.78 TYMS (0.37) PGAM1TDP1ALOX15ALDH1A1TYMS
SCHEMBL17119897 0.76 TYMS (0.36) PGAM1TDP1ALOX15TYMSTNNI3
SCHEMBL3476404 0.74 ALOX15 (0.45) PGAM1TDP1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL2853522 0.74 PGAM1 (0.65) PGAM1TDP1ALDH1A1PKLRTTR
SCHEMBL11546199 0.74 PGAM1 (0.36) PGAM1TDP1ALOX15ALDH1A1TSHR
SCHEMBL30978802 0.74 ALDH1A1 (0.47) TDP1ALOX15ALDH1A1PKLRTSHR

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-20090169985-A1 ELECTROLYTIC SOLUTION, SECONDARY BATTERY AND METHOD OF MANUFACTURING SAME, AND SULFONE COMPOUND SONY CORPORATION (JP) 2009-07-02 — — 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 PGAM1 2138/4885TDP1 2750/4885ALOX15 4543/4885

“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.

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