SCHEMBL6326972

SCHEMBL6326972

Nc1cc2ccc(OS(=O)(=O)O)cc2cc1OS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
GLA P06280 1/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F10 P00742 2/20 0.39
CISD1 Q9NZ45 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
STS P08842 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.35
RCE1 Q9Y256 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7755552 0.82 GLA (0.44) GAAGLACA1CA2CA9
SCHEMBL11028747 0.82 GAA (0.47) GAAGLACA1CA2CA9
SCHEMBL8017039 0.81 GAA (0.47) GAAGLACA1CA2CA9
SCHEMBL11496987 0.81 GAA (0.47) GAAGLACA1CA2CA9
SCHEMBL11133857 0.79 GAA (0.49) GAAGLACA1CA2CA9
SCHEMBL10526313 0.79 GAA (0.51) GAAGLACA1CA2CA9
SCHEMBL10606946 0.79 CISD1 (0.36) GAAGLAF10CISD1CYP1A2
SCHEMBL8997103 0.78 PKM (0.41) GAAGLACA1CA2MEN1
SCHEMBL11299892 0.77 GAA (0.53) GAAGLACA1CA2CA9
SCHEMBL14015393 0.77 CA1 (0.58) GAAGLACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050002994-A1 Cosmetic or dermatological impregnated tissues BEIERSDORF AG (DE) 2005-01-06 US disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP 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-20050002994-A1 Cosmetic or dermatological impregnated tissues CUTA, KAT8, PWWP2B GAA 909/4885GLA 434/4885CA1 4797/4885

“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.