SCHEMBL3897326

SCHEMBL3897326

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

nearest known ligand 0.48

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 0.43
THRB known ✓ P10828 1/20 0.37
SIRT1 Q96EB6 1/20 0.48
PRMT1 Q99873 1/20 0.48
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42
PTPN1 P18031 2/20 0.39
DUSP5 Q16690 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.36

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 0.87 SIRT1 (0.52) SIRT1PRMT1FGF1KDM4EMEN1
SCHEMBL3897862 0.84 CASP6 (0.49) SIRT1PRMT1KDM4EMEN1KMT2A
SCHEMBL4022032 0.84 CASP6 (0.49) SIRT1PRMT1KDM4EMEN1KMT2A
SCHEMBL3897328 0.82 CASP6 (0.48) SIRT1PRMT1KDM4EMEN1KMT2A
SCHEMBL3900392 0.79 PTPN1 (0.46) SIRT1PRMT1KDM4EMEN1KMT2A
SCHEMBL11432535 0.76 FGF1 (0.43) SIRT1PRMT1FGF1KDM4EMEN1
SCHEMBL11763828 0.74 FGF1 (0.55) SIRT1PRMT1FGF1KDM4EMEN1
SCHEMBL3902205 0.73 HSD17B10 (0.39) SIRT1PRMT1KDM4EMEN1KMT2A
Naphthalene Trisulfonate SCHEMBL306175 0.72 SIRT1 (0.47) SIRT1PRMT1FGF1KDM4EMEN1
Naphthalene Trisulfonate SCHEMBL29381206 0.72 SIRT1 (0.47) SIRT1PRMT1FGF1KDM4EMEN1

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 27 patents — showing the first 20. 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-0765357-B9 ANTIVIRAL DENDRIMERS STARPHARMA PTY LTD (AU) 2006-08-16 EP disclosed
EP-0927217-B1 ANGIOGENIC INHIBITORY COMPOUNDS STARPHARMA PTY LTD (AU) 2006-05-03 EP disclosed
EP-0765357-B8 ANTIVIRAL DENDRIMERS STARPHARMA PTY LTD (AU) 2006-03-08 EP disclosed
EP-0765357-B1 ANTIVIRAL DENDRIMERS BIOMOLECULAR RES INST LTD (AU) 2005-12-14 EP disclosed
US-6740635-B2 AIDS THERAPY, RESPIRATORY SYNCYTIAL VIRUS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 2004-05-25 US 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
US-6190650-B1 FOR PROPHYLAXIS AND THERAPY OF VIRAL DISEASES IN HUMANS AND ANIMALS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 2001-02-20 US 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-0928306-A1 ANTIVIRAL LINEAR POLYMERS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-14 EP disclosed
EP-0927217-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-07 EP disclosed
WO-1998003572-A1 ANTIVIRAL LINEAR POLYMERS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 WO disclosed
WO-1998003573-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 WO disclosed
EP-0765357-A4 ANTIVIRAL DENDRIMERS BIOMOLECULAR RES INST LTD (AU) 1997-07-30 EP disclosed
EP-0765357-A1 ANTIVIRAL DENDRIMERS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1997-04-02 EP disclosed
WO-1995034595-A1 ANTIVIRAL DENDRIMERS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1995-12-21 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 4540/4885THRB 3991/4885SIRT1 699/4885

“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.