SCHEMBL4886563

SCHEMBL4886563

Nc1ccc2ccc3c(S(=O)(=O)[O-])ccc4ccc1c2c43.[Na+]

nearest known ligand 0.51

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
THRB known ✓ P10828 3/20 0.37
NR4A1 P22736 1/20 0.51
SLC7A11 Q9UPY5 3/20 0.41
APEX1 P27695 3/20 0.40
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
TST Q16762 2/20 0.39
PTPN1 P18031 2/20 0.39
ENPP2 Q13822 2/20 0.39
ALB P02768 1/20 0.39
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 2/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
Potassium Ion SCHEMBL11528259 0.85 NR4A1 (0.47) NR4A1APEX1HSPD1HSPE1TST
SCHEMBL29557352 0.81 NR4A1 (0.46) NR4A1HSPD1HSPE1TSTPTPN1
SCHEMBL30538112 0.81 THRB (0.43) NR4A1SLC7A11APEX1HSPD1HSPE1
SCHEMBL31441383 0.81 NR4A1 (0.46) NR4A1HSPD1HSPE1TSTPTPN1
SCHEMBL592127 0.81 NR4A1 (0.46) NR4A1HSPD1HSPE1TSTPTPN1
SCHEMBL1690413 0.81 SLC7A11 (0.40) NR4A1SLC7A11APEX1THRBHSD17B10
SCHEMBL11524515 0.81 NR4A1 (0.50) NR4A1SLC7A11APEX1HSPD1HSPE1
SCHEMBL6280639 0.80 AURKA (0.56) NR4A1THRBHSD17B10CYP3A4HPGD
SCHEMBL11528720 0.80 THRB (0.42) NR4A1SLC7A11APEX1HSPD1HSPE1
SCHEMBL17121328 0.80 AURKA (0.56) NR4A1THRBHSD17B10CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 US disclosed
US-20080076188-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2008-03-27 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-20080076188-A1 Luminescent compounds REL, QRFPR, RCOR3 THRB 2021/4885NR4A1 288/4885SLC7A11 3440/4885

“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.