SCHEMBL3647906

SCHEMBL3647906

O=S(=O)([O-])c1cc2c(O)ccc3ccc4cccc1c4c32.[Na+]

nearest known ligand 0.50

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 0.43
▸ PTGS1 known ✓ P23219 1/20 0.41
▸ DUSP5 Q16690 2/20 0.50
▸ NR4A1 P22736 1/20 0.47
▸ APP P05067 1/20 0.43
▸ PTPN1 P18031 2/20 0.42
▸ MPL P40238 1/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTPRA P18433 1/20 0.38
▸ PTPRB P23467 1/20 0.38
▸ CYP2C19 P33261 1/20 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
SCHEMBL11528709 0.85 THRB (0.47) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL27561782 0.84 MPL (0.55) MPLCTRCALDH1A1MAPK1CYP1A2
SCHEMBL27939682 0.83 DUSP5 (0.47) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL3647908 0.83 MPL (0.54) MPLCTRCALDH1A1MAPK1CYP1A2
SCHEMBL2981531 0.80 NR4A1 (0.47) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL11527280 0.79 NR4A1 (0.46) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL18274827 0.78 DUSP5 (0.45) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL29532439 0.77 PTGS1 (0.46) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL461764 0.77 PTGS1 (0.46) DUSP5NR4A1THRBAPPPTPN1
SCHEMBL31441383 0.76 NR4A1 (0.46) DUSP5NR4A1THRBPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078714-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED, INC. (US) 2016-10-12 — — EP disclosed
EP-2181160-B1 HPTS-MONO CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2016-05-11 — — EP disclosed
US-8202731-B2 HPTS-mono and bis Cys-MA polymerizable fluorescent dyes for use in analyte sensors GLUMETRICS, INC. (US) 2012-06-19 — — US disclosed
US-20100279424-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2010-11-04 — — US disclosed
US-7824918-B2 HPTS-Mono and BIS Cys-Ma polymerizable fluorescent dyes for use in analyte sensors GLUMETRICS, INC. (US) 2010-11-02 — — US disclosed
EP-2181160-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS Glumetrics, Inc. (US) 2010-05-05 — — EP disclosed
US-20090061528-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2009-03-05 — — US disclosed
WO-2009021057-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2009-02-12 — — 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-20100279424-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS PTMS, PFAS, HMBS THRB 54/4885PTGS1 1439/4885DUSP5 1097/4885
US-20090061528-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS PTMS, PFAS, HMBS THRB 54/4885PTGS1 1439/4885DUSP5 1097/4885

“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.

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