SCHEMBL31389363

SCHEMBL31389363

Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[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
▸ THRB known ✓ P10828 1/20 0.50
▸ CA12 known ✓ O43570 1/20 0.49
▸ CA1 known ✓ P00915 1/20 0.49
▸ CA2 known ✓ P00918 1/20 0.49
▸ RAD51 Q06609 2/20 1.00
▸ LMNA P02545 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ USP2 O75604 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PTPRC P08575 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HSPD1 P10809 1/20 0.48
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48

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
SCHEMBL31389367 0.87 RAD51 (1.00) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL23853937 0.86 RAD51 (0.76) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL31389373 0.83 RAD51 (0.72) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL31389372 0.83 RAD51 (0.72) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL31494294 0.82 RAD51 (0.70) RAD51LMNAALDH1A1HTTMAPT
SCHEMBL28474423 0.75 RAD51 (0.60) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL2005010 0.75 CA12 (0.81) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL11658456 0.73 RAD51 (0.58) RAD51LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7577405 0.73 PTPRC (0.60) RAD51LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL31389366 0.72 RAD51 (0.73) RAD51ALDH1A1USP2MAPTHSD17B10

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 THRB 109/4885CA12 297/4885CA1 1074/4885
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases RB1, ARSA, SDHB THRB 109/4885CA12 297/4885CA1 1074/4885

“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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