SCHEMBL7159283

SCHEMBL7159283

O=S(=O)([O-])Oc1ccc2ccc(O)cc2c1.[Na+]

nearest known ligand 0.61

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
ESR2 known ✓ Q92731 4/20 0.55
PTGS2 known ✓ P35354 2/20 0.53
CA2 known ✓ P00918 2/20 0.47
CA1 known ✓ P00915 1/20 0.43
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
ESR1 P03372 6/20 0.55
ATM Q13315 1/20 0.55
CISD1 Q9NZ45 1/20 0.54
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.44
CA9 Q16790 1/20 0.43
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7163858 0.86 CA2 (0.53) KMT2AMEN1ESR1ESR2ATM
SCHEMBL6214357 0.82 KMT2A (0.65) KMT2AMEN1ESR1ESR2ATM
SCHEMBL974456 0.82 CA2 (0.63) KMT2AMEN1ESR1ESR2ATM
SCHEMBL7162359 0.80 CISD1 (0.55) KMT2AMEN1ESR1ESR2ATM
SCHEMBL2818769 0.79 CISD1 (0.61) KMT2AMEN1ESR1ESR2CISD1
SCHEMBL6209491 0.78 KMT2A (0.59) KMT2AMEN1ESR1ESR2ATM
Potassium Ion SCHEMBL4610789 0.78 CA2 (0.63) KMT2AMEN1ESR1ESR2ATM
SCHEMBL1897441 0.78 KMT2A (0.56) KMT2AMEN1ESR1ESR2ATM
SCHEMBL28591681 0.77 CISD1 (0.54) ESR1ESR2CISD1PTGS2CA2
SCHEMBL28027480 0.77 KMT2A (0.58) KMT2AMEN1ESR1ESR2ATM

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 ESR2 698/4885PTGS2 1563/4885CA2 363/4885

“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.