SCHEMBL9777699

SCHEMBL9777699

CCCCCCCCCCCCOCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.57

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 0.45
CA1 known ✓ P00915 9/20 0.44
CA2 known ✓ P00918 9/20 0.44
CA12 known ✓ O43570 3/20 0.44
CA4 known ✓ P22748 2/20 0.44
RECQL P46063 2/20 0.57
EPHX2 P34913 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CA9 Q16790 8/20 0.44
CA7 P43166 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA3 P07451 2/20 0.44

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
SCHEMBL10525027 1.00 RECQL (0.57) RECQLEPHX2GLAHPGDTSHR
SCHEMBL29930427 0.98 RECQL (0.55) RECQLEPHX2GLAHPGDTSHR
SCHEMBL29474451 0.98 RECQL (0.55) RECQLEPHX2GLAHPGDTSHR
SCHEMBL28077320 0.92 RECQL (0.57) RECQLEPHX2GLAHPGDTSHR
SCHEMBL31690464 0.92 TSHR (0.45) RECQLEPHX2GLAHPGDTSHR
SCHEMBL122978 0.90 RECQL (0.55) RECQLEPHX2GLAHPGDTSHR
SCHEMBL124817 0.90 RECQL (0.55) RECQLEPHX2GLAHPGDTSHR
SCHEMBL699887 0.90 RECQL (0.55) RECQLEPHX2GLAHPGDTSHR
SCHEMBL10525320 0.90 EPHX2 (0.54) RECQLEPHX2GLAHPGDTSHR
SCHEMBL10525328 0.90 EPHX2 (0.54) RECQLEPHX2GLAHPGDTSHR

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3033145-A None JP disclosed
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems BEAUTY BIOLABS LLC (US) 2026-05-19 US disclosed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
EP-4107239-B1 METHOD OF INCREASING THE FOAMING PROPERTIES OF DETERGENT COMPOSITIONS BY USE OF SACCHARIDE ISOMERATE DSM IP ASSETS BV (NL) 2026-04-08 EP disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
EP-4687810-A1 PREPARATIONS COMPRISING HYDROXY PINACOLONE RETINOATE Symrise AG (DE) 2026-02-11 EP disclosed
EP-3982910-A1 A COOLING PREPARATION Symrise AG (DE) 2022-04-20 EP disclosed
EP-2694834-B2 KERATIN-BASED HAIR STRAIGHTENING FORMULATIONS, METHODS AND SYSTEMS BAUM MARC MICHAEL (US) 2022-04-06 EP disclosed
US-11291958-B2 Use of extended surfactants in process membrane cleaning ECOLAB USA INC. (US) 2022-04-05 US disclosed
WO-2022053602-A1 NOVEL USE OF SACCHARIDE ISOMERATE DSM IP ASSETS B.V. (NL) 2022-03-17 WO disclosed
US-20220080004-A1 Microorganisms Inhibiting the Formation of Axillary Malodor BASF SE (DE) 2022-03-17 US disclosed
US-20220071872-A1 A LIQUID AND TRANSPARENT BLEND OF UV FILTERS SYMRISE AG (DE) 2022-03-10 US disclosed
EP-3964211-A1 A COMPOSITION COMPRISING AN ASCORBYL PHOSPHATE, NIACINAMIDE AND ALLANTOIN FOR TREATING ACNE DSM IP Assets B.V. (NL) 2022-03-09 EP disclosed
US-20220047476-A1 A METHOD FOR FIGHTING FEMALE BODY ODORS SYMRISE AG (DE) 2022-02-17 US disclosed
US-20220047483-A1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION BASF SE (DE) 2022-02-17 US disclosed
JP-H0333145-A POLYVINYL CHLORIDE PASTE SOL COMPOSITION KANEGAFUCHI CHEM IND CO LTD 1991-02-13 JP 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 (7 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-12629327-B2 Keratin-based hair straightening formulations, methods and systems KRT18, HCN4, COL14A1 THRB 2160/4885CA1 455/4885CA2 154/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 THRB 1828/4885CA1 4875/4885CA2 4525/4885
US-20220047483-A1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION MCM4, UGT1A4, CCNB1 THRB 3869/4885CA1 4301/4885CA2 4553/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB THRB 82/4885CA1 1939/4885CA2 1876/4885
US-20220047476-A1 A METHOD FOR FIGHTING FEMALE BODY ODORS SHBG, C5, CUTA THRB 573/4885CA1 1654/4885CA2 4173/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 THRB 2049/4885CA1 1298/4885CA2 332/4885
US-20220071872-A1 A LIQUID AND TRANSPARENT BLEND OF UV FILTERS F2, F12, TYR THRB 3972/4885CA1 2667/4885CA2 4266/4885

“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.