SCHEMBL4081388

SCHEMBL4081388

COc1cc(S(=O)(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1.[Na+]

nearest known ligand 0.60

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
GFER P55789 1/20 0.60
ALDH1A1 P00352 7/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
PKM P14618 2/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APP P05067 1/20 0.51
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX12 P18054 1/20 0.49
MCL1 Q07820 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7118517 0.92 GFER (0.55) GFERALDH1A1GAAMAPTLMNA
SCHEMBL7112620 0.88 ALDH1A1 (0.53) GFERALDH1A1GAAMAPTLMNA
SCHEMBL7119930 0.88 SMN1; SMN2 (0.55) GFERALDH1A1GAAMAPTLMNA
SCHEMBL14220802 0.87 GFER (0.66) GFERALDH1A1GAAMAPTLMNA
SCHEMBL7520651 0.87 ALDH1A1 (0.52) GFERALDH1A1GAAMAPTLMNA
SCHEMBL7518312 0.87 ALDH1A1 (0.52) GFERALDH1A1GAAMAPTLMNA
SCHEMBL2066684 0.86 GFER (0.61) GFERALDH1A1GAAMAPTLMNA
SCHEMBL13924691 0.86 GFER (0.61) GFERALDH1A1GAAMAPTLMNA
SCHEMBL4076121 0.85 GFER (0.60) GFERALDH1A1GAAMAPTLMNA
SCHEMBL6311175 0.85 GFER (0.64) GFERALDH1A1GAAMAPTLMNA

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-20030215738-A1 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-11-20 US disclosed
US-6551758-B2 For use in microfabrication of integrated circuits SHIN-ETSU CHEMICAL CO. LTD. (JP) 2003-04-22 US disclosed
US-20020077493-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 1617/4885GFER 223/4885ALDH1A1 1126/4885
US-20020077493-A1 Novel onium salts, photoacid generators, resist compositions, and patterning process ABL1, PI4K2B, FES ESR2 2885/4885GFER 2519/4885ALDH1A1 4358/4885

“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.