SCHEMBL31389367

SCHEMBL31389367

O=S(=O)([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)[O-].[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
▸ CA12 known ✓ O43570 1/20 0.49
▸ CA1 known ✓ P00915 1/20 0.49
▸ CA2 known ✓ P00918 1/20 0.49
▸ RAD51 Q06609 5/20 1.00
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CA9 Q16790 1/20 0.49
▸ KEAP1 Q14145 2/20 0.49
▸ IL1RN P18510 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ FFAR4 Q5NUL3 2/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ HTT P42858 1/20 0.46

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
SCHEMBL31389363 0.87 RAD51 (1.00) RAD51ALDH1A1MEN1KMT2ALMNA
SCHEMBL23852173 0.84 RAD51 (0.72) RAD51ALDH1A1MEN1KMT2APKM
SCHEMBL31389373 0.84 RAD51 (0.72) RAD51ALDH1A1MEN1KMT2ALMNA
SCHEMBL31389372 0.84 RAD51 (0.72) RAD51ALDH1A1MEN1KMT2ALMNA
SCHEMBL31494294 0.83 RAD51 (0.70) RAD51ALDH1A1MEN1KMT2ALMNA
SCHEMBL14601737 0.80 RAD51 (0.66) RAD51ALDH1A1MEN1KMT2APKM
SCHEMBL29455562 0.76 RAD51 (0.61) RAD51ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL4057351 0.76 RAD51 (0.61) RAD51ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL17255097 0.76 RAD51 (0.61) RAD51ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1169584 0.75 RAD51 (0.60) RAD51ALDH1A1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177344-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Université de Nantes (FR) 2025-06-05 — — US disclosed
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases Université de Nantes (FR) 2025-02-25 — — 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-20250177344-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES RB1, ARSA, SDHB CA12 297/4885CA1 1074/4885CA2 1243/4885
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases RB1, ARSA, SDHB CA12 297/4885CA1 1074/4885CA2 1243/4885

“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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