SCHEMBL3857079

SCHEMBL3857079

O=S(=O)([O-])CCCNC1CCCCC1.[Na+]

nearest known ligand 0.47

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 3/20 0.47
CA1 known ✓ P00915 2/20 0.38
CA2 known ✓ P00918 1/20 0.35
CA9 Q16790 2/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CXCR4 P61073 9/20 0.41
CXCL12 P48061 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
HBB P68871 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HRH4 Q9H3N8 2/20 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
Potassium Ion SCHEMBL28435351 0.96 CA12 (0.42) CA12CA9CA7CA14CXCR4
SCHEMBL28428673 0.95 CA12 (0.46) CA12CA9CA7CA14CXCR4
SCHEMBL5458450 0.89 CA12 (0.50) CA12CA9CA7CA14CXCR4
SCHEMBL9518428 0.82 CXCR4 (0.45) CA12CA9CA7CA14CXCR4
SCHEMBL37872 0.79 CXCR4 (0.46) CA12CA7CA14CXCR4CXCL12
SCHEMBL918578 0.79 CXCR4 (0.46) CA12CA7CA14CXCR4CXCL12
SCHEMBL3904237 0.79 CA1 (0.45) CA12CA7CA14CXCR4CXCL12
SCHEMBL21518374 0.79 CXCR4 (0.46) CA12CA7CA14CXCR4CXCL12
SCHEMBL3904234 0.79 CXCR4 (0.42) CA12CA7CA14CXCR4CXCL12
SCHEMBL3857080 0.78 CXCR4 (0.45) CA12CA7CA14CXCR4CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116556070-B Enzymatic anti-felting finishing method for low-strength-loss colored wool fabric 江南大学 2025-06-03 CN claimed
CN-118421250-A Heat-activated aqueous polyurethane adhesive and application method thereof 黎明化工研究设计院有限责任公司 2024-08-02 CN claimed
EP-4263690-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME FRS Group, LLC (US) 2023-10-25 EP claimed
CN-116556070-A Enzymatic anti-felting finishing method for low-strength-loss colored wool fabric 江南大学 2023-08-08 CN claimed
CN-113956766-B Long-activation-period water-based bi-component polyurethane coating and preparation method and application thereof 万华化学集团股份有限公司 2022-11-08 CN claimed
WO-2022132962-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME FRS GROUP, LLC (US) 2022-06-23 WO claimed
US-12398099-B2 Multi-aziridine compound COVESTRO (NETHERLANDS) B.V. (NL) 2025-08-26 US disclosed
CN-116556070-B Enzymatic anti-felting finishing method for low-strength-loss colored wool fabric 江南大学 2025-06-03 CN disclosed
US-12281072-B2 Multi-aziridine compound COVESTRO (NETHERLANDS) B.V. (NL) 2025-04-22 US disclosed
CN-119144369-A Composite polyurea sulfonate lubricating grease and preparation method thereof 亚培烯科技(上海)有限公司 2024-12-17 CN disclosed
EP-4263690-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME FRS Group, LLC (US) 2023-10-25 EP disclosed
CN-116556070-A Enzymatic anti-felting finishing method for low-strength-loss colored wool fabric 江南大学 2023-08-08 CN disclosed
US-20230127229-A1 MULTI-AZIRIDINE COMPOUND COVESTRO (NETHERLANDS) B.V. (NL) 2023-04-27 US disclosed
EP-1743943-A1 PROCESS FOR PRODUCING L-FUCULOSE AND PROCESS FOR PRODUCING L-FUCOSE Ajinomoto Co., Inc. (JP) 2007-01-17 EP disclosed
US-20010036654-A1 Canola acetyl-CoA carboxylase compositions and methods of use ARCH DEVELOPMENT CORPORATION (US) 2001-11-01 US disclosed
US-6177267-B1 AMINO ACID SEQUENCE OF ACETYL-COENZYME A CARBOXYLASE; FOR TRANSGENIC PLANTS WITH INCREASED OR DECREASED HERBICIDE RESISTANCE; FOR SCREENING SAMPLES FOR HERBICIDE RESISTANCE ARCH DEVELOPMENT CORP. 2001-01-23 US disclosed
US-5910626-A NUCLEIC ACIDS ENCODING POLYPEPTIDES PARTICIPATING IN THE CARBOXYLATION OF ACETYL-COA, E.G. A SUBUNIT, BIOTIN CARBOXYLASE CARRIER PROTEIN; HERBICIDE RESISTANCE; INCREASED OIL PRODUCTION IN PLANT TISSUE ARCH DEVELOPMENT CORPORATION (US) 1999-06-08 US disclosed
US-5801233-A DNA SEGMENTS AND CELLS FOR ACETYL COA CARBOXYLASE AND NUCLEIC ACID SEGMENTS ARCH DEVELOPMENT CORPORATION (US) 1998-09-01 US disclosed
EP-0820514-A2 ACETYL-CoA CARBOXYLASE COMPOSITIONS AND METHODS OF USE ARCH DEVELOPMENT CORPORATION (US) 1998-01-28 EP disclosed
WO-1996032484-A2 ACETYL-CoA CARBOXYLASE COMPOSITIONS AND METHODS OF USE ARCH DEVELOPMENT CORPORATION (US) 1996-10-17 WO 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 (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-12281072-B2 Multi-aziridine compound HRH3, QDPR, HRH4 CA12 1942/4885CA1 2307/4885CA2 2044/4885
US-12398099-B2 Multi-aziridine compound HRH3, QDPR, HRH4 CA12 2407/4885CA1 2633/4885CA2 2194/4885
US-20230127229-A1 MULTI-AZIRIDINE COMPOUND HRH3, QDPR, HRH4 CA12 1942/4885CA1 2307/4885CA2 2044/4885

“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.