SCHEMBL2333709

SCHEMBL2333709

CC(=O)Nc1ccc(C=Cc2ccc(N=C=S)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
P2RY6 known ✓ Q15077 1/20 0.55
RAD51 Q06609 10/20 1.00
APEX1 P27695 1/20 0.73
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 2/20 0.71
USP2 O75604 2/20 0.71
LTA P01374 2/20 0.71
CYP3A4 P08684 2/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
P2RX3 P56373 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
RAD1 O60671 1/20 0.55
ENPP2 Q13822 1/20 0.52
AMY1A P0DUB6 2/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 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
SCHEMBL2415107 1.00 RAD51 (1.00) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL29627175 1.00 RAD51 (1.00) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL29351606 0.89 RAD51 (0.81) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL25796 0.89 RAD51 (0.81) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL175934 0.89 RAD51 (0.81) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL2333711 0.88 RAD51 (0.80) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL2333703 0.88 RAD51 (0.80) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL15823509 0.88 RAD51 (0.80) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL30160852 0.88 RAD51 (0.80) RAD51APEX1ALDH1A1KDM4EUSP2
SCHEMBL31389366 0.86 RAD51 (0.73) RAD51APEX1ALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934110-B1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIV GENT (BE) 2018-08-01 EP claimed
US-9485983-B2 Use of connexin channel inhibitors to protect grafts UNIVERSITEIT GENT (BE) 2016-11-08 US claimed
US-20150313208-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIVERSITEIT GENT (BE) 2015-11-05 US claimed
EP-2934110-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS Universiteit Gent (BE) 2015-10-28 EP claimed
WO-2014095468-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIVERSITEIT GENT (BE) 2014-06-26 WO claimed
EP-2934110-B1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIV GENT (BE) 2018-08-01 EP disclosed
US-9485983-B2 Use of connexin channel inhibitors to protect grafts UNIVERSITEIT GENT (BE) 2016-11-08 US disclosed
US-20150313208-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIVERSITEIT GENT (BE) 2015-11-05 US disclosed
EP-2934110-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS Universiteit Gent (BE) 2015-10-28 EP disclosed
WO-2014095468-A1 USE OF CONNEXIN CHANNEL INHIBITORS TO PROTECT GRAFTS UNIVERSITEIT GENT (BE) 2014-06-26 WO disclosed
US-20130189280-A1 PROTEIN DOMAINS AND USES THEREFOR SYDNEY WEST AREA HEALTH SERVICE (SWAHS) (AU) 2013-07-25 US disclosed
EP-2533794-A1 PROTEIN DOMAINS AND USES THEREFOR The University Of Sydney (AU) 2012-12-19 EP disclosed
WO-2011097688-A1 PROTEIN DOMAINS AND USES THEREFOR THE UNIVERSITY OF SYDNEY (AU) 2011-08-18 WO disclosed
US-7419818-B2 Organic conductor FUJI XEROX CO., LTD (JP) 2008-09-02 US disclosed
US-20070244309-A1 Organic conductor FUJI XEROX CO., LTD. (JP) 2007-10-18 US disclosed
US-7238794-B2 Organic conductor FUJI XEROX CO., LTD. (JP) 2007-07-03 US disclosed
US-20030170692-A1 Organic conductor FUJI XEROX CO., LTD. (JP) 2003-09-11 US disclosed
EP-1324352-A2 Organic conductor FUJI XEROX CO., LTD. (JP) 2003-07-02 EP disclosed
US-5512667-A Trifunctional intermediates for preparing 3'-tailed oligonucleotides DRUG ROYALTY LP1 (CA) 1996-04-30 US disclosed
US-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US 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-20030170692-A1 Organic conductor DNMT1, DNMT3A, POLN P2RY6 1326/4885RAD51 932/4885APEX1 140/4885

“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.