SCHEMBL514539

SCHEMBL514539

[CH2]OCOC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
F2 P00734 1/20 0.52
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL51601 0.87 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28875175 0.87 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL21953404 0.83 TDP1 (0.67) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL514994 0.82 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
Ethylene Glycol SCHEMBL15661698 0.81 ALDH1A1 (0.62) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL514606 0.80 TPMT (0.43) TDP1SLC6A2KMT2ALMNAALDH1A1
SCHEMBL514789 0.80 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL513611 0.80 TDP1 (0.53) TDP1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL514973 0.80 LMNA (0.61) SLC6A3KMT2ALMNAALDH1A1TSHR
SCHEMBL514540 0.79 LMNA (0.60) TDP1MAPK1HIF1ASLC6A2SLC6A3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-11149052-B2 2′3′-cyclic dinucleotides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-10-19 US disclosed
EP-3774832-A1 3'3'-CYCLIC DINUCLEOTIDES Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2021-02-17 EP disclosed
EP-3774831-A1 2'3'-CYCLIC DINUCLEOTIDES Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2021-02-17 EP disclosed
US-20190322697-A1 2'2'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
US-20190322695-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
US-20190322696-A1 3'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
WO-2019193543-A1 3'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 WO disclosed
WO-2019193533-A1 2'2'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 WO disclosed
WO-2019193542-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-5837871-A PHOSPHONATE DERIVATIVES; ANTITUMOR AGENTS, VIRICIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-11-17 US disclosed
US-5693798-A ACTIVE AGAINST RETROVIRAL DISEASES; PROPHYLAXIS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-12-02 US 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 (5 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-20190322697-A1 2'2'-CYCLIC DINUCLEOTIDES STING1, CGAS, MAVS TDP1 173/4885MAPK1 2686/4885HIF1A 3163/4885
US-11149052-B2 2′3′-cyclic dinucleotides STING1, MAVS, CGAS TDP1 216/4885MAPK1 2779/4885HIF1A 3021/4885
US-20190322695-A1 2'3'-CYCLIC DINUCLEOTIDES STING1, MAVS, CGAS TDP1 170/4885MAPK1 2827/4885HIF1A 3158/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 TDP1 3903/4885MAPK1 1508/4885HIF1A 3920/4885
US-20190322696-A1 3'3'-CYCLIC DINUCLEOTIDES STING1, CGAS, MAVS TDP1 201/4885MAPK1 2722/4885HIF1A 3389/4885

“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.