SCHEMBL31389382

SCHEMBL31389382

CCOC(=O)Nc1ccc(/C=C/c2ccc(NC(=O)OCC)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.59

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
▸ RAD51 Q06609 6/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ APEX1 P27695 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL31389385 1.00 RAD51 (0.59) RAD51SMN1; SMN2APEX1ALDH1A1LMNA
SCHEMBL31389368 0.86 RAD51 (0.56) RAD51SMN1; SMN2APEX1ALDH1A1LMNA
SCHEMBL31389374 0.83 RAD51 (0.59) RAD51SMN1; SMN2APEX1ALDH1A1NPC1
SCHEMBL31389366 0.81 RAD51 (0.73) RAD51APEX1ALDH1A1HSD17B10HPGD
SCHEMBL31389377 0.79 RAD51 (0.70) RAD51APEX1ALDH1A1LMNACYP1A2
SCHEMBL19210838 0.75 RAD51 (0.53) RAD51APEX1ALDH1A1HPGDCYP2C19
SCHEMBL4057351 0.75 RAD51 (0.61) RAD51SMN1; SMN2APEX1ALDH1A1NPC1
SCHEMBL29455562 0.75 RAD51 (0.61) RAD51SMN1; SMN2APEX1ALDH1A1NPC1
SCHEMBL17255097 0.75 RAD51 (0.61) RAD51SMN1; SMN2APEX1ALDH1A1NPC1
SCHEMBL31389369 0.74 RAD51 (1.00) RAD51SMN1; SMN2ALDH1A1LMNAHSD17B10

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 RAD51 959/4885SMN1; SMN2 1934/4885APEX1 4731/4885
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases RB1, ARSA, SDHB RAD51 959/4885SMN1; SMN2 1934/4885APEX1 4731/4885

“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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