SCHEMBL1638375

SCHEMBL1638375

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3cccc4ccccc34)c(O)ccc2c1.[Na+].[Na+]

nearest known ligand 0.73

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 0.50
▸ MAPK1 P28482 4/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ APP P05067 1/20 0.71
▸ CYP1A2 P05177 3/20 0.61
▸ HIF1A Q16665 3/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTPRA P18433 1/20 0.61
▸ PTPRB P23467 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAPGEF4 Q8WZA2 1/20 0.61
▸ PTPN1 P18031 3/20 0.53
▸ DUSP5 Q16690 2/20 0.53
▸ DNASE1L3 Q13609 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50

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
SCHEMBL29421649 1.00 MAPK1 (0.73) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL10621059 1.00 MAPK1 (0.73) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL93701 0.90 APP (0.72) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL93700 0.90 APP (0.72) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL29353967 0.90 APP (0.72) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL29912825 0.88 APP (0.69) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL10621065 0.84 MAPK1 (1.00) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL1098204 0.84 MAPK1 (1.00) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL1098207 0.84 MAPK1 (1.00) MAPK1ALDH1A1APPCYP1A2HIF1A
SCHEMBL10621049 0.83 MAPK1 (0.98) MAPK1ALDH1A1APPCYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170315031-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS BUDAK MEHMET (TR) 2017-11-02 — — US claimed
EP-3209292-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS Budak, Mehmet (TR) 2017-08-30 — — EP claimed
CN-104744217-A Hydroquinone synthesis method JIANGSU YANGNONG CHEMICAL GROUP CO LTD 2015-07-01 — — CN claimed
US-7481975-B2 Hydrogen peroxide indicator and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-01-27 — — US claimed
US-20040265170-A1 Hydrogen peroxide indicator and method 3M INNOVATIVE PROPERTIES COMPANY 2004-12-30 — — US claimed
US-6790411-B1 MONITORING STERILIZATION OF SURGICAL AND MEDICAL EQUIPMENT BY COLORIMETRIC ANALYSIS USING DYES 3M INNOVATIVE PROPERTIES COMPANY 2004-09-14 — — US claimed
EP-1366196-A4 METHODS AND COMPOSITIONS OF AMPLIFYING RNA BAYLOR COLLEGE MEDICINE (US) 2004-07-07 — — EP claimed
EP-1366196-A2 METHODS AND COMPOSITIONS OF AMPLIFYING RNA BAYLOR COLLEGE OF MEDICINE (US) 2003-12-03 — — EP claimed
US-20030186237-A1 Methods and compositions of amplifying RNA BAYLOR COLLEGE OF MEDICINE 2003-10-02 — — US claimed
US-6531581-B1 When incorporated into hairpin oligonucleotides these quench the fluorescence of fluorophores linked to the 5'-terminus of the oligonucleotide SEROLOGICALS, INC. 2003-03-11 — — US claimed
EP-1236040-A1 HYDROGEN PEROXIDE INDICATOR AND METHOD 3M Innovative Properties Company (US) 2002-09-04 — — EP claimed
WO-2002065093-A2 METHODS AND COMPOSITIONS OF AMPLIFYING RNA BAYLOR COLLEGE OF MEDICINE (US) 2002-08-22 — — WO claimed
WO-2001040792-A1 HYDROGEN PEROXIDE INDICATOR AND METHOD 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-06-07 — — WO claimed
EP-1086115-A2 PURINES AND PYRIMIDINES LINKED TO A QUENCHER Intergen Company (US) 2001-03-28 — — EP claimed
US-6117986-A QUENCHING FLUORESCENCE INTERGEN COMPANY, L.P. (US) 2000-09-12 — — US claimed
WO-1999064431-A2 PURINES AND PYRIMIDINES LINKED TO A QUENCHER INTERGEN COMPANY (US) 1999-12-16 — — WO claimed
US-11975221-B2 Anti-microbial multilayer fabric media and method for making same Shuai Danmeng (US) 2024-05-07 — — US disclosed
US-11953493-B2 Biophotonic methods for increasing in situ energy production and energy emission in biological cells and tissues FLE INTERNATIONAL S.R.L. (IT) 2024-04-09 — — US disclosed
US-6117986-A QUENCHING FLUORESCENCE INTERGEN COMPANY, L.P. (US) 2000-09-12 — — US disclosed
WO-1999064431-A2 PURINES AND PYRIMIDINES LINKED TO A QUENCHER INTERGEN COMPANY (US) 1999-12-16 — — 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 (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-20170315031-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS MYADM, PRSS8, MKI67 THRB 3702/4885MAPK1 255/4885ALDH1A1 450/4885

“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.

Send feedback