SCHEMBL7903158

SCHEMBL7903158

O=S(=O)([O-])c1cc(N=C=S)ccc1/C=C/c1ccc(N=C=S)cc1S(=O)(=O)[O-].[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 0.70
CA1 known ✓ P00915 1/20 0.44
CA2 known ✓ P00918 1/20 0.44
RAD51 Q06609 11/20 1.00
KDM4E B2RXH2 2/20 1.00
USP2 O75604 2/20 1.00
ALDH1A1 P00352 2/20 1.00
LTA P01374 2/20 1.00
CYP3A4 P08684 2/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
P2RX3 P56373 2/20 1.00
HSD17B10 Q99714 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
RAD1 O60671 1/20 0.70
APEX1 P27695 1/20 0.49
SENP3 Q9H4L4 4/20 0.38
SENP2 Q9HC62 4/20 0.38
SENP1 Q9P0U3 4/20 0.38
SUMO2 P61956 3/20 0.38

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
SCHEMBL29523045 1.00 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL439382 1.00 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL31196489 1.00 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
Water SCHEMBL29459684 0.98 RAD51 (0.97) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL30889118 0.86 RAD51 (0.75) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2333709 0.84 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29627175 0.84 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2415107 0.84 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29350628 0.83 P2RY6 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29351286 0.83 P2RY6 (1.00) RAD51KDM4EUSP2ALDH1A1LTA

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 31 patents — showing the first 20. 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
US-20240233860-A1 METHOD FOR MODELING CYCLIC 3D EPITOPES TO BE USED IN THE DEVELOPMENT OF VACCINES SYNTHETIC VACCINES LTD (GB) 2024-07-11 US disclosed
CN-117836009-A Methods and compositions for genomic integration 美洛德生物医药公司 2024-04-05 CN disclosed
EP-4337268-A1 METHODS AND COMPOSITIONS FOR GENOMIC INTEGRATION Myeloid Therapeutics, Inc. (US) 2024-03-20 EP disclosed
US-20230364266-A1 METHODS AND COMPOSITIONS FOR GENOMIC INTEGRATION CREATE MEDICINES, INC. 2023-11-16 US disclosed
US-20230364265-A1 METHODS AND COMPOSITIONS FOR GENOMIC INTEGRATION CREATE MEDICINES, INC. 2023-11-16 US disclosed
US-11672874-B2 Methods and compositions for genomic integration MYELOID THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230141052-A1 METHODS AND COMPOSITIONS FOR GENOMIC INTEGRATION MYELOID THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20180271992-A1 TREATMENT OF HIGH TROP-2 EXPRESSING TRIPLE NEGATIVE BREAST CANCER (TNBC) WITH SACITUZUMAB GOVITECAN (IMMU-132) OVERCOMES HOMOLOGOUS RECOMBINATION REPAIR (HRR) RESCUE MEDIATED BY RAD51 IMMUNOMEDICS, INC. 2018-09-27 US disclosed
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-6241863-B1 Amperometric biosensors based on redox enzymes MONBOUQUETTE HAROLD G (US) 2001-06-05 US disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 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-20180271992-A1 TREATMENT OF HIGH TROP-2 EXPRESSING TRIPLE NEGATIVE BREAST CANCER (TNBC) WITH SACITUZUMAB GOVITECAN (IMMU-132) OVERCOMES HOMOLOGOUS RECOMBINATION REPAIR (HRR) RESCUE MEDIATED BY RAD51 TOP2A, MRE11, RAD51 P2RY6 4267/4885CA1 3765/4885CA2 2987/4885

“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.