SCHEMBL3895091

SCHEMBL3895091

NC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.55
▸ CASP6 P55212 5/20 0.52
▸ PRMT1 Q99873 2/20 0.51
▸ NSD2 O96028 2/20 0.48
▸ DUSP3 P51452 2/20 0.48
▸ PTPN5 P54829 2/20 0.48
▸ PTPN11 Q06124 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RHOA P61586 1/20 0.41
▸ SNCA P37840 2/20 0.41
▸ SIRT1 Q96EB6 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 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
SCHEMBL3895105 0.98 NT5E (0.56) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL3897328 0.87 CASP6 (0.48) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL10900256 0.86 PRMT1 (0.63) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL4022032 0.85 CASP6 (0.49) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL3897862 0.85 CASP6 (0.49) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL20299286 0.83 CASP6 (0.74) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL3910184 0.82 CASP6 (0.47) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL3895096 0.82 SIRT1 (0.52) NT5ECASP6PRMT1CYP2C9CYP2C19
SCHEMBL17115743 0.81 APEX1 (0.70) CASP6PRMT1NSD2DUSP3PTPN5
SCHEMBL3899955 0.80 NT5E (0.48) NT5ECASP6ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 — — US disclosed
EP-1113806-B1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA PTY LTD (AU) 2007-09-05 — — EP disclosed
EP-0927217-B1 ANGIOGENIC INHIBITORY COMPOUNDS STARPHARMA PTY LTD (AU) 2006-05-03 — — EP disclosed
EP-1113805-A4 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LTD (AU) 2004-05-19 — — EP disclosed
US-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA LIMITED 2003-07-10 — — US disclosed
EP-1113806-A4 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LTD (AU) 2003-06-25 — — EP disclosed
EP-0927217-A4 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RES INST LTD (AU) 2003-04-23 — — EP disclosed
US-6464971-B1 ANIONIC-CONTAINING MOIETY IS A NEURAMINIC- OR SIALIC ACID-CONTAINING. MOIETY, IT IS MODIFIED IN THE 4-POSITION BY SUBSTITUTION WITH AN AMINO, AMIDO, CYANO, AZIDO OR GUANIDO GROUP, OR IS UNSATURATED. STARPHARMA LIMITED (AU) 2002-10-15 — — US disclosed
US-6426067-B1 CARDIOVASCULAR DISORDERS; ANTITUMOR AGENTS BIOMOLECULAR RESEARCH INSTITUTE, LTD. (AU) 2002-07-30 — — US disclosed
EP-1113805-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS Starpharma Limited (AU) 2001-07-11 — — EP disclosed
EP-1113806-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS Starpharma Limited (AU) 2001-07-11 — — EP disclosed
WO-2000015240-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LIMITED (AU) 2000-03-23 — — WO disclosed
WO-2000015239-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LIMITED (AU) 2000-03-23 — — WO disclosed
EP-0927217-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-07 — — EP disclosed
WO-1998003573-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 — — WO 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-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions FUT6, B3GNT2, SIGLEC7 NT5E 102/4885CASP6 1129/4885PRMT1 1218/4885

“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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