SCHEMBL7154183

SCHEMBL7154183

O=S(=O)([O-])Oc1cc(O)c2ccccc2c1.[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
PTGS2 known ✓ P35354 2/20 0.48
CA2 known ✓ P00918 2/20 0.41
CA1 known ✓ P00915 1/20 0.41
TUBB4A known ✓ P04350 1/20 0.39
TUBB known ✓ P07437 1/20 0.39
TUBA3C known ✓ P0DPH7 1/20 0.39
TUBA1B known ✓ P68363 1/20 0.39
TUBA4A known ✓ P68366 1/20 0.39
TUBB4B known ✓ P68371 1/20 0.39
TUBB3 known ✓ Q13509 1/20 0.39
TUBB2A known ✓ Q13885 1/20 0.39
TUBB8 known ✓ Q3ZCM7 1/20 0.39
TUBA3E known ✓ Q6PEY2 1/20 0.39
TUBA1A known ✓ Q71U36 1/20 0.39
TUBA1C known ✓ Q9BQE3 1/20 0.39
TUBB6 known ✓ Q9BUF5 1/20 0.39
TUBB2B known ✓ Q9BVA1 1/20 0.39
TUBB1 known ✓ Q9H4B7 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.37
ALOX5 known ✓ P09917 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
SCHEMBL7162359 0.84 CISD1 (0.55) CISD1PTGS2CA2CA1CA9
SCHEMBL8766960 0.83 NQO2 (0.53) CISD1NQO2TRPM4CA2CA1
SCHEMBL7156667 0.83 PTGS2 (0.45) CISD1PTGS2CA2CA1CA9
Ammonia Solution, Strong SCHEMBL27454136 0.82 NQO2 (0.52) CISD1NQO2TRPM4CA2CA1
SCHEMBL2654823 0.79 NQO2 (0.49) NQO2TRPM4CA2CA1CA9
SCHEMBL972715 0.78 CISD1 (0.54) CISD1PTGS2CA2F11PTPN1
SCHEMBL974456 0.75 CA2 (0.63) CISD1PTGS2CA2CA1CA9
SCHEMBL6553032 0.75 F2 (0.44) NQO2
SCHEMBL9093551 0.75 DUSP5 (0.59) NQO2TRPM4PTPN1CYP1A2DUSP5
SCHEMBL30223694 0.75 DUSP5 (0.59) NQO2TRPM4PTPN1CYP1A2DUSP5

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-6541178-B2 An sulfonium(-) and iodonium(+)ion-type photoacid generator containing a naphthol structure, and photosensitive polyimide resin using photoacid generator SAMSUNG ELECTRONICS CO., LTD. (KR) 2003-04-01 US disclosed
US-20020048719-A1 Ion-type photoacid generator containing naphthol and photosensitive polyimide composition prepared by using the same SAMSUNG ELECTRONICS CO., LTD. 2002-04-25 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-20020048719-A1 Ion-type photoacid generator containing naphthol and photosensitive polyimide composition prepared by using the same ASIC1, H1-0, RER1 PTGS2 1563/4885CA2 363/4885CA1 1166/4885

“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.