SCHEMBL2332927

SCHEMBL2332927

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(O)c(S(=O)(=O)O)cc2c1.[Na+].[Na+]

nearest known ligand 0.49

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 2/20 0.39
PTGS1 known ✓ P23219 1/20 0.34
PTPN1 P18031 5/20 0.49
DUSP5 Q16690 4/20 0.47
SIRT1 Q96EB6 1/20 0.43
PRMT1 Q99873 1/20 0.43
APP P05067 1/20 0.40
DUSP6 Q16828 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
PLEC Q15149 1/20 0.37
PKLR P30613 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP6 P55212 2/20 0.36
NSD2 O96028 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 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
SCHEMBL29691763 0.87 PTPN1 (0.55) PTPN1DUSP5SIRT1PRMT1APP
SCHEMBL14989119 0.83 CASP6 (0.43) PTPN1DUSP5SIRT1PRMT1APP
SCHEMBL2989602 0.82 CASP6 (0.47) PRMT1THRBMEN1KMT2ATDP1
SCHEMBL31615025 0.82 CASP6 (0.47) PRMT1THRBMEN1KMT2ATDP1
SCHEMBL3502679 0.80 CASP6 (0.46) PRMT1THRBMEN1KMT2ATDP1
SCHEMBL9329529 0.80 CASP6 (0.43) PTPN1DUSP5SIRT1PRMT1APP
Potassium Ion SCHEMBL29903373 0.80 CASP6 (0.43) PTPN1DUSP5SIRT1PRMT1APP
Potassium Ion SCHEMBL11226224 0.79 PTPN1 (0.55) PTPN1DUSP5SIRT1PRMT1APP
SCHEMBL31709159 0.78 PTGES (0.49) PTPN1DUSP5SIRT1PRMT1APP
SCHEMBL446245 0.78 PTGES (0.49) PTPN1DUSP5SIRT1PRMT1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-8377992-B2 TRBD-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-02-19 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed
US-20100160260-A1 TRBD-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 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 (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-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 THRB 26/4885PTGS1 2764/4885PTPN1 2426/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 THRB 26/4885PTGS1 2764/4885PTPN1 2426/4885

“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.