SCHEMBL161682

SCHEMBL161682

O=S(=O)([O-])CCCN1CCOCC1.[Na+]

nearest known ligand 0.53

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
CA1 known ✓ P00915 1/20 0.40
CA2 known ✓ P00918 1/20 0.40
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.44
EPHX2 P34913 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
CA9 Q16790 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Hydrochloric Acid SCHEMBL30888463 0.98 KEAP1 (0.47) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
Potassium Ion SCHEMBL9673910 0.96 KEAP1 (0.48) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
SCHEMBL4022653 0.96 KEAP1 (0.48) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
SCHEMBL285412 0.88 KMT2A (0.50) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
Water SCHEMBL28916296 0.86 KMT2A (0.49) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
Potassium Ion SCHEMBL190393 0.84 KMT2A (0.50) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
SCHEMBL5492632 0.84 KMT2A (0.50) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
Tetrabuthylammonium SCHEMBL4016430 0.83 MAPK1 (0.41) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
SCHEMBL4342856 0.82 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3EPHX2KMT2A
Water SCHEMBL2810011 0.81 KEAP1 (0.48) KEAP1SMN1; SMN2HRH3EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12480155-B2 Nicking enzymes LUMIRADX UK LTD. (GB) 2025-11-25 US claimed
CN-119955714-A Culture solution for improving embryo health degree and embryo culture method 多能干细胞再生医学科技(广州)有限公司 2025-05-09 CN claimed
CN-115491362-B Oxidase immobilization method 可孚医疗科技股份有限公司 2024-11-05 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
CN-117987407-A Method for visually screening enzyme mutant with high flux 淮阴工学院 2024-05-07 CN claimed
CN-114813288-B Quick dyeing and positioning method for active oxygen of plant root system 甘肃农业大学 2024-04-12 CN claimed
CN-117825721-A Buffer composition for removing specific interference and application thereof 江苏三联生物工程股份有限公司 2024-04-05 CN claimed
CN-115197432-B Antibacterial/antiviral polymer material and preparation method thereof 中国科学院长春应用化学研究所 2024-03-26 CN claimed
CN-114200133-B Anti-extractable nuclear antigen antibody quality control product and preparation method and application thereof 深圳市昭蓝生物科技有限公司 2024-02-27 CN claimed
US-11865391-B2 Long-term fire retardant with corrosion inhibitors and methods for making and using same FRS GROUP, LLC (US) 2024-01-09 US claimed
CN-114200133-A Anti-extractable nuclear antigen antibody quality control product and preparation method and application thereof 深圳市昭蓝生物科技有限公司 2022-03-18 CN claimed
CN-113993995-A Improvements in or relating to nicking enzymes 卢米拉特英国有限公司 2022-01-28 CN claimed
CN-111224017-B Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2021-06-18 CN claimed
CN-112582564-A Light emitting device and method of manufacturing the same TCL集团股份有限公司 2021-03-30 CN claimed
CN-112582565-A Light emitting device and method of manufacturing the same TCL集团股份有限公司 2021-03-30 CN claimed
CN-111224000-A Quantum dot light-emitting diode and preparation method thereof TCL集团股份有限公司 2020-06-02 CN claimed
CN-111223998-A Quantum dot light-emitting diode and preparation method thereof TCL集团股份有限公司 2020-06-02 CN claimed
CN-111224017-A Quantum dot light-emitting diode and preparation method thereof TCL集团股份有限公司 2020-06-02 CN 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

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-20120015044-A1 FORMULATIONS FOR THE TREATMENT OF URUSHIOL-INDUCED CONTACT DERMATITIS AOC1, AOC3, GPR17 CA1 1818/4885CA2 2958/4885KEAP1 268/4885

“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.