SCHEMBL2464245

SCHEMBL2464245

CCCCC(CC)COC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.61

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 5/20 0.48
CA1 known ✓ P00915 1/20 0.33
RECQL P46063 1/20 0.61
CYP3A4 P08684 5/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
Potassium Ion SCHEMBL2462854 0.97 RECQL (0.61) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL1357096 0.90 RECQL (0.75) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL23117139 0.90 RECQL (0.75) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL3041223 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9722552 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL1357097 0.89 RECQL (0.61) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4113 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL7940196 0.89 RECQL (0.69) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL1282782 0.89 RECQL (0.72) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL21465350 0.88 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148825-A1 METHOD FOR MODIFYING POLYHYDROXYALKANOATE 北京微构工场生物技术有限公司 2024-07-18 WO claimed
CN-116119707-B Preparation method and application of ZnO nano-sheet for detecting N-methylpyrrolidone 瑞浦兰钧能源股份有限公司 2024-06-25 CN claimed
CN-118006701-A Preparation method of phospholipid DHA 南京工业大学 2024-05-10 CN claimed
CN-114772566-B Forming method of hydroxyapatite and hydroxyapatite 深圳市酷彼伴玩具有限公司 2023-08-25 CN claimed
CN-115894981-B Modification method of polyhydroxyalkanoate 北京微构工场生物技术有限公司 2023-07-18 CN claimed
CN-116287794-A Method for enriching and recovering high-purity rare earth elements by adopting microemulsion method 沈阳理工大学 2023-06-23 CN claimed
CN-116119707-A Preparation method and application of ZnO nano-sheet for detecting N-methylpyrrolidone 瑞浦兰钧能源股份有限公司 2023-05-16 CN claimed
CN-116002814-A Ultrafiltration membrane with photocatalysis-photo-thermal synergistic performance and preparation method and application thereof 上海师范大学 2023-04-25 CN claimed
CN-115894981-A Modification method of polyhydroxyalkanoate 北京微构工场生物技术有限公司 2023-04-04 CN claimed
CN-109999684-B Carbon dioxide fluidity control device and method 中国石油大学(华东) 2021-07-13 CN claimed
CN-108410541-B Two-component supermolecule gel lubricant 中国科学院兰州化学物理研究所 2021-01-29 CN claimed
WO-2020216142-A1 CARBON DIOXIDE FLUIDITY CONTROL DEVICE AND METHOD 中国石油大学(华东) 2020-10-29 WO claimed
CN-107069030-B Preparation method of lithium-rich manganese-based positive electrode material with controllable shape and size 湘潭大学 2020-06-16 CN claimed
CN-109852455-B Cholesterol supramolecular gel lubricant and preparation method and application thereof 中国科学院兰州化学物理研究所 2020-06-05 CN claimed
US-20110224080-A1 FORMULATION BASED ON MICRONIZED NATURAL CALCITE MINERAL AND MICRONIZED ZEOLITE AS AN ENHANCED PLANT BOOSTER AND MINERAL FERTILIZER MIKRO MINERAL USA, INC. 2011-09-15 US claimed
WO-2024148825-A1 METHOD FOR MODIFYING POLYHYDROXYALKANOATE 北京微构工场生物技术有限公司 2024-07-18 WO disclosed
CN-116119707-B Preparation method and application of ZnO nano-sheet for detecting N-methylpyrrolidone 瑞浦兰钧能源股份有限公司 2024-06-25 CN disclosed
EP-0160313-A2 Heat developable color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-11-06 EP disclosed
US-4536467-A Heat development of silver halide element with redox dye releaser and stabilizer FUJI PHOTO FILM CO., LTD. (JP) 1985-08-20 US disclosed
EP-0120402-A1 Base precursor FUJI PHOTO FILM CO., LTD. (JP) 1984-10-03 EP 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-20110224080-A1 FORMULATION BASED ON MICRONIZED NATURAL CALCITE MINERAL AND MICRONIZED ZEOLITE AS AN ENHANCED PLANT BOOSTER AND MINERAL FERTILIZER MAX, CAMK2G, SLC39A3 CA2 20/4885CA1 476/4885RECQL 1670/4885

“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.