SCHEMBL3895096

SCHEMBL3895096

NC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc12.[Na+].[Na+]

nearest known ligand 0.52

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
▸ FGF1 known ✓ P05230 1/20 0.46
▸ CA12 known ✓ O43570 1/20 0.39
▸ CA1 known ✓ P00915 1/20 0.39
▸ CA2 known ✓ P00918 1/20 0.39
▸ THRB known ✓ P10828 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ BLM P54132 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ NFKB1 P19838 2/20 0.40

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
SCHEMBL3897326 0.87 SIRT1 (0.48) SIRT1PRMT1FGF1KDM4EGAA
SCHEMBL3895105 0.83 NT5E (0.56) SIRT1PRMT1KDM4EGAAMEN1
SCHEMBL3895091 0.82 NT5E (0.55) SIRT1PRMT1KDM4EGAAMEN1
SCHEMBL3899960 0.81 POLB (0.47) SIRT1PRMT1KDM4EGAAMEN1
SCHEMBL11432535 0.80 FGF1 (0.43) SIRT1PRMT1FGF1KDM4EGAA
SCHEMBL11763828 0.78 FGF1 (0.55) SIRT1PRMT1FGF1KDM4EGAA
SCHEMBL11437672 0.74 RORC (0.43) SIRT1PRMT1FGF1KDM4EMEN1
Naphthalene Trisulfonate SCHEMBL306175 0.73 SIRT1 (0.47) SIRT1PRMT1FGF1KDM4EMEN1
Naphthalene Trisulfonate SCHEMBL29381206 0.73 SIRT1 (0.47) SIRT1PRMT1FGF1KDM4EMEN1
SCHEMBL11766327 0.73 RAB9A (0.54) FGF1GAAMEN1POLBBLM

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 FGF1 4540/4885CA12 960/4885CA1 2006/4885

“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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