SCHEMBL4076148

SCHEMBL4076148

Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1.[Na+]

nearest known ligand 0.59

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 2/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
GAA P10253 3/20 0.59
ESR1 P03372 2/20 0.59
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 1/20 0.40
HSD17B3 P37058 1/20 0.40
GFER P55789 1/20 0.40
VDR P11473 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL6740051 0.91 KMT2A (0.53) KMT2AMEN1GAAESR1ESR2
SCHEMBL6742531 0.90 KMT2A (0.52) KMT2AMEN1GAAESR1ESR2
SCHEMBL6942534 0.89 KMT2A (0.71) KMT2AMEN1GAAESR1ESR2
SCHEMBL6743671 0.88 KMT2A (0.51) KMT2AMEN1GAAESR1ESR2
SCHEMBL13924690 0.88 KMT2A (0.59) KMT2AMEN1GAAESR1ESR2
SCHEMBL2066156 0.88 KMT2A (0.59) KMT2AMEN1GAAESR1ESR2
SCHEMBL4081984 0.87 KMT2A (0.58) KMT2AMEN1GAAESR1ESR2
SCHEMBL482651 0.87 KMT2A (0.62) KMT2AMEN1GAAESR1ESR2
SCHEMBL4076149 0.86 KMT2A (0.60) KMT2AMEN1GAAESR1ESR2
SCHEMBL6740058 0.85 KMT2A (0.56) 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 6 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
US-6916591-B2 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-07-12 US disclosed
US-6692893-B2 ONIUM SALTS OF ARYLSULFONYLOXYNAPHTHALENESULFONATE ANIONS WITH IODONIUM OR SULFONIUM CATIONS; USE IN DEEP ULTRAVIOLET LITHOGRAPHY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-02-17 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-20020076643-A1 Novel onium salts, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-20 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 (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-20030215738-A1 Photoacid generators, chemically amplified resist compositions, and patterning process CCNH, PAH, POLH ESR2 1617/4885KMT2A 890/4885MEN1 4466/4885
US-20020076643-A1 Novel onium salts, photoacid generators, resist compositions, and patterning process PNN, PI4K2B, PI4K2A ESR2 3038/4885KMT2A 3202/4885MEN1 4165/4885

“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.