SCHEMBL30416771

SCHEMBL30416771

O=S(=O)([O-])c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)C2.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ DUSP5 Q16690 4/20 1.00
▸ DUSP6 Q16828 1/20 1.00
▸ ING2 Q9H160 3/20 0.63
▸ PTPN1 P18031 3/20 0.48
▸ PKLR P30613 2/20 0.39
▸ PTPRB P23467 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PLCG1 P19174 1/20 0.37
▸ CASP6 P55212 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CD69 Q07108 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL29664952 0.92 DUSP5 (0.85) DUSP5DUSP6ING2PTPN1PKLR
SCHEMBL15397115 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL15397119 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL19203101 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL29486957 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL29664959 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL29486958 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
SCHEMBL29776588 0.77 ING2 (1.00) DUSP5DUSP6ING2PTPRBLMNA
Water SCHEMBL30366794 0.76 ING2 (0.95) DUSP5DUSP6ING2PTPRBLMNA
Water SCHEMBL31084794 0.76 ING2 (0.95) DUSP5DUSP6ING2PTPRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624163-B2 Ionomers with macrocyclic moieties for ion conductivity and permselectivity NUTECH VENTURES (US) 2026-05-12 — — US disclosed
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-07-20 — — US disclosed
US-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 — — US disclosed
EP-4167983-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-04-26 — — 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 (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-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CALU, CANX, CTSA DUSP5 1815/4885DUSP6 1390/4885ING2 4014/4885
US-12624163-B2 Ionomers with macrocyclic moieties for ion conductivity and permselectivity ZYX, CANX, GJB2 DUSP5 4241/4885DUSP6 3985/4885ING2 4385/4885

“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.

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