SCHEMBL3222677

SCHEMBL3222677

O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.47
NT5E P21589 3/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 5/20 0.44
PRMT1 Q99873 2/20 0.43
NSD2 O96028 4/20 0.41
CASP6 P55212 4/20 0.41
DUSP3 P51452 2/20 0.41
PTPN5 P54829 2/20 0.41
PTPN11 Q06124 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP7 P55210 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL772208 0.98 ING2 (0.48) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL9242875 0.98 ING2 (0.48) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL30999 0.98 ING2 (0.48) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL30057851 0.98 ING2 (0.48) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL29367149 0.98 ING2 (0.48) ING2NT5EALDH1A1HSD17B10PRMT1
Water SCHEMBL7784437 0.96 ING2 (0.47) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL17627830 0.96 ING2 (0.47) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL3309996 0.96 ING2 (0.47) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL30989279 0.96 ING2 (0.47) ING2NT5EALDH1A1HSD17B10PRMT1
SCHEMBL9960463 0.96 ING2 (0.47) ING2NT5EALDH1A1HSD17B10PRMT1

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-8263803-B2 Preparation of metallic dihydroxybenzene-disulfonates RHODIA OPERATIONS (FR) 2012-09-11 US disclosed
US-20100056823-A1 PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES RHODIA OPERATIONS (FR) 2010-03-04 US disclosed
CN-1063219-A Disulfide deodorant composition and deodorizing method PROCTER & GAMBLE (US) 1992-08-05 CN disclosed
CN-1063220-A Thiol heterocyclic deodorant compositions and deodorizing method PROCTER & GAMBLE (US) 1992-08-05 CN 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-20100056823-A1 PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES TST, DDT, STS ING2 3463/4885NT5E 4687/4885ALDH1A1 677/4885

“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.