SCHEMBL285412

SCHEMBL285412

O=S(=O)([O-])CCN1CCOCC1.[Na+]

nearest known ligand 0.62

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
CA12 known ✓ O43570 2/20 0.41
CA1 known ✓ P00915 2/20 0.41
CA2 known ✓ P00918 2/20 0.41
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CA14 Q9ULX7 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
Water SCHEMBL28916296 0.98 KMT2A (0.49) KMT2AMEN1L3MBTL1GLAALDH1A1
Potassium Ion SCHEMBL190393 0.96 KMT2A (0.50) KMT2AMEN1L3MBTL1GLAALDH1A1
SCHEMBL5492632 0.96 KMT2A (0.50) KMT2AMEN1L3MBTL1GLAALDH1A1
SCHEMBL29463334 0.91 KMT2A (0.44) KMT2AMEN1L3MBTL1GLAALDH1A1
SCHEMBL161682 0.88 KEAP1 (0.48) KMT2AMEN1L3MBTL1GLAALDH1A1
Hydrochloric Acid SCHEMBL30888463 0.86 KEAP1 (0.47) KMT2AMEN1L3MBTL1GLAKEAP1
SCHEMBL4455864 0.84 ALOX15 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
Potassium Ion SCHEMBL9673910 0.84 KEAP1 (0.48) KMT2AMEN1L3MBTL1GLAALDH1A1
SCHEMBL4022653 0.84 KEAP1 (0.48) KMT2AMEN1L3MBTL1GLAALDH1A1
Water SCHEMBL9983319 0.82 MAPT (0.40) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2

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 1985 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589187-B2 Valve material with combined anti-clotting and anti-calcification properties and preparation method JILIN VENUS HAOYUE MEDICAL LIMITED (CN) 2026-03-31 US claimed
US-20250249002-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL WOUND TREATMENT CONSEJO NACIONAL DE INVESTIGACIONES CIENTIFICAS Y TECN (AR) 2025-08-07 US claimed
EP-3870331-B1 MODIFICATION OF ANTIBODY FCRN BINDING HOFFMANN LA ROCHE (CH) 2025-07-23 EP claimed
CN-115210324-B Coloring composition and color filter DIC株式会社 2025-02-21 CN claimed
CN-118531088-A Blood microorganism detection reagent and preparation method thereof 南通辉星生物科技有限公司 2024-08-23 CN claimed
CN-118006125-A Polyamic acid composition and modified polyamide acid 比亚迪股份有限公司 2024-05-10 CN claimed
US-11858883-B2 Method for recycling taurine mother liquor QIANJIANG Yongan Phamaceutical CO., LTD. (CN) 2024-01-02 US claimed
CN-117233375-A Kit for coupling fluorescent coding microsphere and antigen and application thereof 深圳市亚辉龙生物科技股份有限公司 2023-12-15 CN claimed
US-20230218803-A1 Valve Material With Combined Anti-Clotting And Anti-Calcification Properties And Preparation Method Therefor JILIN VENUS HAOYUE MEDICAL LIMITED (CN) 2023-07-13 US claimed
US-20230212111-A1 METHOD FOR RECYCLING TAURINE MOTHER LIQUOR QIANJIANG YONGAN PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US claimed
WO-2019078197-A1 HYPERPHOSPHATEMIA TREATMENT AGENT 富士フイルム株式会社 2019-04-25 WO claimed
US-20120015044-A1 FORMULATIONS FOR THE TREATMENT OF URUSHIOL-INDUCED CONTACT DERMATITIS TREIBER, Laszlo (US) 2012-01-19 US claimed
WO-2012009290-A2 FORMULATIONS FOR THE TREATMENT OF URUSHIOL-INDUCED CONTACT DERMATITIS TREIBER LASZLO (US) 2012-01-19 WO claimed
EP-1272530-B1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI (IT) 2006-09-20 EP claimed
US-20040076680-A1 Clathrate complexes formed by hyaluronic acid derivatives and use thereof as pharmaceuticals SLOVAK ACADEMY OF SCIENCES (SK) 2004-04-22 US claimed
EP-1272530-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.p.A. (IT) 2003-01-08 EP claimed
WO-2001066601-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.P.A. (IT) 2001-09-13 WO claimed
US-5567619-A PRECIPITATION, FILTRATION, COLORIMETRIC ANALYSIS HYBRIVET SYSTEMS, INC. (US) 1996-10-22 US claimed
US-5416028-A Process for testing for substances in liquids HYBRIVET SYSTEMS, INC. (US) 1995-05-16 US claimed
WO-1995005598-A1 PROCESS AND APPARATUS FOR TESTING FOR SUBSTANCES IN LIQUIDS HYBRIVET SYSTEMS, INC. (US) 1995-02-23 WO claimed

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-12589187-B2 Valve material with combined anti-clotting and anti-calcification properties and preparation method PROC, F11, SERPINC1 CA12 551/4885CA1 151/4885CA2 476/4885
US-20120015044-A1 FORMULATIONS FOR THE TREATMENT OF URUSHIOL-INDUCED CONTACT DERMATITIS AOC1, AOC3, GPR17 CA12 1028/4885CA1 1818/4885CA2 2958/4885
US-20230212111-A1 METHOD FOR RECYCLING TAURINE MOTHER LIQUOR SLC6A6, SLC6A12, UGT8 CA12 538/4885CA1 154/4885CA2 364/4885

“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.