SCHEMBL4077812

SCHEMBL4077812

Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)c(S(=O)(=O)[O-])c2)cc1.[Na+]

nearest known ligand 0.52

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 1/20 0.47
CA12 known ✓ O43570 2/20 0.44
CA2 known ✓ P00918 2/20 0.44
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.47
ESR1 P03372 1/20 0.47
PTPN1 P18031 1/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43

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
SCHEMBL5709630 0.90 KMT2A (0.47) KMT2AMEN1GAAESR1ESR2
SCHEMBL5709594 0.87 KMT2A (0.44) KMT2AMEN1GAAESR1ESR2
SCHEMBL2064981 0.86 KMT2A (0.54) KMT2AMEN1GAAESR1ESR2
SCHEMBL13924692 0.86 KMT2A (0.54) KMT2AMEN1GAAESR1ESR2
SCHEMBL4076262 0.85 KMT2A (0.52) KMT2AMEN1GAAESR1ESR2
SCHEMBL342714 0.85 KMT2A (0.56) KMT2AMEN1GAAESR1ESR2
SCHEMBL2057491 0.84 KMT2A (0.57) KMT2AMEN1GAAESR1ESR2
SCHEMBL5709684 0.84 HSD11B1 (0.43) KMT2AMEN1GAAESR1ESR2
SCHEMBL5709677 0.84 KMT2A (0.46) KMT2AMEN1GAAESR1ESR2
SCHEMBL4077813 0.84 KMT2A (0.55) KMT2AMEN1GAAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494760-B2 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-24 US disclosed
US-20070287096-A1 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2007-12-13 US disclosed
EP-1077391-B1 Onium salts, photoacid generators for resist compositions, and patterning process SHINETSU CHEMICAL CO (JP) 2006-09-27 EP disclosed
US-6916591-B2 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-07-12 US disclosed
US-20030215738-A1 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-11-20 US disclosed
US-6440634-B1 MICROFABRICATION OF INTEGRATED CIRCUITS, DEEP UV LITHOGRAPHY; PHENYLSULFONATE SALTS OF SULFONIUM OR IODINIUM CATIONS SHIN-ETSU CHEMICAL CO., LTD (JP) 2002-08-27 US disclosed
EP-1077391-A1 Onium salts, photoacid generators for resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-02-21 EP 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-20030215738-A1 Photoacid generators, chemically amplified resist compositions, and patterning process CCNH, PAH, POLH ESR2 1617/4885CA12 3174/4885CA2 1041/4885

“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.