SCHEMBL3732159

SCHEMBL3732159

O=S(=O)([O-])CCOS(=O)(=O)CCO.[Na+]

nearest known ligand 0.36

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 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
HBB P68871 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL524165 0.79 LMNA (0.36) KDM4EMAPTALOX15ALDH1A1GMNN
SCHEMBL3697545 0.79 RECQL (0.56) MAPTTSHRMEN1KMT2AMAPK1
SCHEMBL8608172 0.79 TSHR (0.33) TSHRMEN1KMT2AMAPK1
Ammonia Solution, Strong SCHEMBL9784969 0.77 TSHR (0.32) TSHRMEN1KMT2AMAPK1
SCHEMBL125497 0.75
SCHEMBL3424967 0.75 KDM4E (0.50) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL28394791 0.75 KDM4E (0.50) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL27832263 0.75 CA1 (0.35) KDM4EALOX15ALDH1A1TSHRLMNA
SCHEMBL7750776 0.73
Ammonia Solution, Strong SCHEMBL27752877 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102088947-B Based on compositions and the application thereof of polymer/hydrogen peroxide complexes L'OREAL (FR) 2015-07-29 CN disclosed
CN-102088947-A Compositions based on polymer/hydrogen peroxide complexes and uses thereof OREAL 2011-06-08 CN disclosed
US-20110059035-A1 COMPOSITIONS BASED ON POLYMER/HYDROGEN PEROXIDE COMPLEXES AND USES THEREOF L"OREAL 2011-03-10 US disclosed
US-20100112100-A1 COMPOSITIONS COMPRISING A C-GLYCOSIDE COMPOUND L'OREAL (FR) 2010-05-06 US disclosed
US-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL L'OREAL (FR) 2009-01-15 US disclosed
US-20080226756-A1 COMPOSITIONS COMPRISING A C-GLYCOSIDE COMPOUND L'OREAL (FR) 2008-09-18 US disclosed
US-5728389-A Solid composition for cleansing the skin, containing a particulate structuring agent L'OREAL (FR) 1998-03-17 US disclosed
US-4695395-A SODIUM ISETHIONATE LEVER BROTHERS COMPANY (US) 1987-09-22 US disclosed
US-4180470-A WEAR RESISTANCE LEVER BROTHERS COMPANY (US) 1979-12-25 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 (3 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-20080226756-A1 COMPOSITIONS COMPRISING A C-GLYCOSIDE COMPOUND UGCG, GANC, CUTA KDM4E 1043/4885MAPT 2919/4885ALOX15 4090/4885
US-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL CUTA, AHR, TYR KDM4E 1101/4885MAPT 1889/4885ALOX15 1902/4885
US-20100112100-A1 COMPOSITIONS COMPRISING A C-GLYCOSIDE COMPOUND UGCG, GANC, CUTA KDM4E 1043/4885MAPT 2919/4885ALOX15 4090/4885

“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.