SCHEMBL2591215

SCHEMBL2591215

O=S(=O)([O-])Nc1nccs1.[Na+]

nearest known ligand 0.56

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
EDNRA known ✓ P25101 1/20 0.56
ESR2 known ✓ Q92731 1/20 0.46
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2C9 P11712 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.50
PKM P14618 5/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACP1 P24666 2/20 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
SCHEMBL14009908 0.78 ACP1 (0.61) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL2912774 0.78 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL28780801 0.78 LMNA (0.57) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL1647188 0.78 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL27804813 0.76 ACP1 (0.59) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL11979598 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL8088783 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL8796963 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL19700373 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL12801174 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2026-04-30 US disclosed
EP-4344552-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-03 EP disclosed
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
EP-2567229-A1 METHODS TO IDENTIFY MODULATORS Givaudan SA (CH) 2013-03-13 EP disclosed
US-8383183-B2 Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses THE COCA-COLA COMPANY (US) 2013-02-26 US disclosed
US-20110318464-A1 SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES THE COCA-COLA COMPANY (US) 2011-12-29 US disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
US-20080292765-A1 Sweetness Enhancers, Sweetness Enhanced Sweetener Compositions, Methods for Their Formulation, and Uses THE COCA-COLA COMPANY (US) 2008-11-27 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 (1 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-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME PIGS, TAS2R13, CEL EDNRA 2747/4885ESR2 3669/4885ALDH1A1 4390/4885

“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.