SCHEMBL769956

SCHEMBL769956

O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Ru+2]

nearest known ligand 0.36

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
CKS1B P61024 7/20 0.36
SKP2 Q13309 7/20 0.36
GLO1 Q04760 2/20 0.36
TOP2A P11388 1/20 0.36
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
MMP2 P08253 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
FLT1 P17948 1/20 0.32

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
SCHEMBL93351 0.99 CKS1B (0.37) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL3941509 0.99 CKS1B (0.37) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL30479688 0.98 CKS1B (0.36) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL29026619 0.98 CKS1B (0.36) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL2424416 0.98 CKS1B (0.36) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL3964610 0.98 CKS1B (0.36) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL8775544 0.96 CKS1B (0.37) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL3960976 0.96 CKS1B (0.37) CKS1BSKP2GLO1TOP2ANR1H2
Dipyridyl SCHEMBL17766514 0.94 GLO1 (0.35) CKS1BSKP2GLO1TOP2ANR1H2
SCHEMBL15570898 0.83 TOP2A (0.36) CKS1BSKP2GLO1TOP2ANR1H2

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414655-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING VENOM RELATED POISONING ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-12-28 US claimed
WO-2022133109-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING VENOM RELATED POISONING ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-23 WO claimed
US-20210041362-A1 METHOD FOR CALIBRATING FLUORESCENT PLATE READERS PLEXBIO CO LTD (TW) 2021-02-11 US claimed
US-20170284942-A1 METHOD FOR CALIBRATING FLUORESCENT PLATE READERS PLEXBIO CO., LTD (TW) 2017-10-05 US claimed
US-20120142014-A1 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-07 US claimed
WO-2011112634-A9 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO claimed
WO-2011112634-A2 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-15 WO claimed
EP-3946256-B1 VIRUS-LIKE PARTICLE FORMULATIONS AURA BIOSCIENCES INC (US) 2024-07-17 EP disclosed
US-12029794-B2 Virus-like particle conjugates for diagnosis and treatment of tumors Biosciences, Inc. (US) 2024-07-09 US disclosed
US-20240216527-A1 VIRUS-LIKE PARTICLE CONJUGATES FOR DIAGNOSIS AND TREATMENT OF TUMORS AURA BIOSCIENCES, INC. (US) 2024-07-04 US disclosed
US-12000826-B2 Methods for testing for food allergies and allergens in foods RAMJI ANANT (US) 2024-06-04 US disclosed
US-20230414655-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING VENOM RELATED POISONING ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-12-28 US disclosed
WO-2023245172-A1 METHODS FOR QUANTIFYING LIVE BACTERIA ANCERA INC. (US) 2023-12-21 WO disclosed
EP-2635553-A1 STABILIZATION OF OZONE-LABILE FLUORESCENT DYES BY THIOUREA Ibis Biosciences, Inc. (US) 2013-09-11 EP disclosed
US-20130210079-A1 REAGENTS AND METHODS FOR AUTOLIGATION CHAIN REACTION STANOJEVIC DUSAN (US) 2013-08-15 US disclosed
US-20120142014-A1 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-07 US disclosed
WO-2011112634-A9 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
WO-2012037394-A1 STABILIZATION OF OZONE-LABILE FLUORESCENT DYES BY THIOUREA IBIS BIOSCIENCES, INC. (US) 2012-03-22 WO disclosed
US-20120070830-A1 STABILIZATION OF OZONE-LABILE FLUORESCENT DYES BY THIOUREA lbis Biosciences, Inc. (US) 2012-03-22 US disclosed
WO-2011112634-A2 MOLECULAR INDICIA OF CELLULAR CONSTITUENTS AND RESOLVING THE SAME BY SUPER-RESOLUTION TECHNOLOGIES IN SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-15 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 (2 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-20120070830-A1 STABILIZATION OF OZONE-LABILE FLUORESCENT DYES BY THIOUREA HNRNPU, STAU1, TCOF1 CKS1B 3972/4885SKP2 1001/4885GLO1 35/4885
US-20230414655-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING VENOM RELATED POISONING PLA2G12A, PLA2G12B, PLA2G1B CKS1B 3941/4885SKP2 2668/4885GLO1 2004/4885

“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.