SCHEMBL3899960

SCHEMBL3899960

NC(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 known ✓ Q9H244 1/20 0.38
▸ CA1 known ✓ P00915 2/20 0.37
▸ CA2 known ✓ P00918 2/20 0.37
▸ CA12 known ✓ O43570 1/20 0.37
▸ POLB P06746 5/20 0.47
▸ BLM P54132 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ PKM P14618 3/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ APEX1 P27695 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ P2RX1 P51575 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ STAT1 P42224 3/20 0.47
▸ STAT5A P42229 3/20 0.47

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
SCHEMBL3895096 0.81 SIRT1 (0.52) POLBBLMKMT2ALMNATDP1
SCHEMBL3899970 0.79 NT5E (0.49) POLBTDP1APEX1HSD17B10KDM4E
SCHEMBL3899955 0.78 NT5E (0.48) POLBTDP1APEX1HSD17B10KDM4E
SCHEMBL3893214 0.74 CA1 (0.57) KMT2ALMNAMEN1MAPTKIF11
SCHEMBL3383187 0.71 LMNA (0.52) POLBBLMKMT2ALMNATDP1
Potassium Ion SCHEMBL11594818 0.71 CA1 (0.57) KMT2ALMNAMEN1MAPTKIF11
SCHEMBL15210368 0.70 CA12 (0.53) POLBBLMKMT2ALMNATDP1
SCHEMBL17272167 0.70 DUSP5 (0.54) POLBBLMKMT2ALMNATDP1
SCHEMBL713915 0.70 LMNA (0.47) POLBBLMKMT2ALMNATDP1
SCHEMBL30461613 0.70 LMNA (0.47) POLBBLMKMT2ALMNATDP1

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 P2RY12 639/4885CA1 2006/4885CA2 1974/4885

“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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