SCHEMBL5720558

SCHEMBL5720558

CCOC(=O)Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ AURKB Q96GD4 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ NLRP3 Q96P20 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ EEF2K O00418 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ PRKD3 O94806 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
SCHEMBL10873409 0.82 AURKB (0.48) KDM4EPOLBALDH1A1HPGDAURKB
Water SCHEMBL12275781 0.80 AURKB (0.46) KDM4EPOLBALDH1A1HPGDAURKB
SCHEMBL5720575 0.72 POLB (0.43) KDM4EPOLBALDH1A1HPGDMAPK1
SCHEMBL10398374 0.71 AURKB (0.49) KDM4EPOLBALDH1A1HPGDAURKB
SCHEMBL8003311 0.70 AURKB (0.58) ALDH1A1HPGDAURKBAURKAHSD17B10
SCHEMBL11765835 0.70 KDM4E (0.76) KDM4EPOLBGLAALDH1A1HPGD
SCHEMBL11768676 0.69 KDM4E (0.61) KDM4EPOLBGLAALDH1A1HPGD
SCHEMBL5720569 0.68 TIMP3 (0.46) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7256931 0.68 NLRP3 (0.50) KDM4EPOLBGLAALDH1A1HPGD
SCHEMBL11217554 0.68 POLB (0.56) KDM4EPOLBGLAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229440-A1 Disazo dyes, and copper complexes thereof, for dyeing paper KASER ADOLF 2006-10-12 — — US disclosed
US-7078497-B2 Disazo dyes, and copper complexes thereof, for dyeing paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-07-18 — — US disclosed
EP-1345992-B1 DISAZO DYES, AND COPPER COMPLEXES THEREOF, FOR DYEING PAPER CIBA SC HOLDING AG (CH) 2006-07-05 — — 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-20060229440-A1 Disazo dyes, and copper complexes thereof, for dyeing paper AOC1, SOD1, AOC3 KDM4E 3335/4885POLB 2424/4885GLA 2041/4885

“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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