SCHEMBL5720540

SCHEMBL5720540

CCOC(=O)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.65
PRMT1 Q99873 1/20 0.55
NSD2 O96028 2/20 0.55
CASP6 P55212 2/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
CASP7 P55210 1/20 0.55
PTPN11 Q06124 1/20 0.55
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45

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
SCHEMBL5720500 0.91 PRMT1 (0.67) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL8109744 0.84 NT5E (0.70) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL5720597 0.83 NT5E (0.43) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL5720688 0.82 NT5E (0.45) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL1803097 0.82 NT5E (0.75) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL10900036 0.82 PRMT1 (0.81) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL29384348 0.82 PRMT1 (0.81) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL10795626 0.80 NT5E (0.68) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL9464065 0.80 NT5E (0.64) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL8439783 0.79 NT5E (1.00) NT5EPRMT1NSD2CASP6DUSP3

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-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
CN-1483063-A Disazo dyes and copper complexes thereof for dyeing paper �������⻯ѧƷ�ع����޹�˾ 2004-03-17 CN disclosed
EP-0555699-B1 Process for the preparation of aminourethanes BAYER AG (DE) 1998-01-07 EP disclosed
EP-0555699-A2 Aromatic compounds substituted by an urethane group and by an amino group BAYER AG (DE) 1993-08-18 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 NT5E 4590/4885PRMT1 3110/4885NSD2 3481/4885

“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.