SCHEMBL29664952

SCHEMBL29664952

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+]

nearest known ligand 0.85

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
▸ CA1 known ✓ P00915 3/20 0.39
▸ CA2 known ✓ P00918 3/20 0.39
▸ CA12 known ✓ O43570 2/20 0.39
▸ DUSP5 Q16690 4/20 0.85
▸ DUSP6 Q16828 1/20 0.85
▸ ING2 Q9H160 3/20 0.78
▸ PTPN1 P18031 3/20 0.43
▸ CA7 P43166 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ PLCG1 P19174 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ LCK P06239 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
SCHEMBL30416771 0.92 DUSP5 (1.00) DUSP5DUSP6ING2PTPN1PLCG1
SCHEMBL29776588 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL29486957 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL15397119 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL15397115 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL29486958 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL29664959 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
SCHEMBL19203101 0.88 ING2 (1.00) DUSP5DUSP6ING2CA1CA2
Water SCHEMBL31084794 0.86 ING2 (0.95) DUSP5DUSP6ING2CA1CA2
Water SCHEMBL30366794 0.86 ING2 (0.95) DUSP5DUSP6ING2CA1CA2

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
WO-2026102309-A1 SELECTIVE RADIOTRACERS AND METHODS OF USE LUTROO IMAGING, LLC (US) 2026-05-15 — — WO disclosed
US-20250352676-A1 N-Cyclopropyl-1-(4-(4-(Fluoro-18f)Phenyl)Pyrimidin-5-Yl)-N-Methylpiperidine- 4-Carboxamide and Uses in PET Imaging UNIV EMORY (US) 2025-11-20 — — US disclosed
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-07-20 — — US disclosed
US-20230158178-A1 Radionuclide Tracers of 1-Amino-3,4-Difluorocyclopentane-1-Carboxylic Acid, Derivatives, and Uses Thereof UNIV EMORY (US) 2023-05-25 — — US disclosed
EP-4167983-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-04-26 — — EP disclosed
US-20220306663-A1 Metal Tricarbonyl Complexes Comprising Substituted Iminodiactic Acid Ligands and Uses as Radioisotope Tracers UNIV EMORY (US) 2022-09-29 — — US disclosed
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers EMORY UNIVERSITY (US) 2022-07-12 — — 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 (4 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-20220306663-A1 Metal Tricarbonyl Complexes Comprising Substituted Iminodiactic Acid Ligands and Uses as Radioisotope Tracers SLC16A8, S100A8, FGF23 CA1 18/4885CA2 79/4885CA12 23/4885
US-20230158178-A1 Radionuclide Tracers of 1-Amino-3,4-Difluorocyclopentane-1-Carboxylic Acid, Derivatives, and Uses Thereof AFF1, METTL3, VHL CA1 38/4885CA2 571/4885CA12 149/4885
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CALU, CANX, CTSA CA1 1768/4885CA2 1329/4885CA12 928/4885
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers SLC16A8, S100A8, FGF23 CA1 18/4885CA2 79/4885CA12 23/4885

“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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