SCHEMBL21056503

SCHEMBL21056503

COc1cc[n+]([O-])c(CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
BCL2 P10415 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB11 O95342 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL10752466 0.83 BCL2 (0.38) ALDH1A1BCL2NPC1RAB9ACA12
SCHEMBL5961894 0.81 BCL2 (0.37) BCL2NPC1RAB9AMAPK14CA12
SCHEMBL8896547 0.80 PRSS1 (0.32) KDM4EALDH1A1BCL2
SCHEMBL6840996 0.80 BCL2 (0.36) BCL2CA12CA1CA2CA7
SCHEMBL6709391 0.75 BCL2 (0.40) KDM4EALDH1A1BCL2NPC1RAB9A
SCHEMBL8924008 0.75
SCHEMBL3786646 0.75 BCL2 (0.40) KDM4EALDH1A1BCL2CA12CA1
SCHEMBL1999459 0.72 BCL2 (0.41) KDM4EALDH1A1BCL2RAB9ACA12
SCHEMBL5944757 0.72 BCL2 (0.41) KDM4EALDH1A1BCL2TSHRCA12
SCHEMBL877569 0.71 BCL2 (0.40) KDM4EALDH1A1BCL2TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12318403-B2 2′3′-cyclic dinucleotides and prodrugs thereof INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2025-06-03 US disclosed
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2025-04-10 US disclosed
CN-111954675-B 3' -Cyclic dinucleotides 捷克共和国有机化学与生物化学研究所 2025-04-01 CN disclosed
CN-111954676-B 2'3' -Cyclic dinucleotides 捷克共和国有机化学与生物化学研究所 2025-01-24 CN disclosed
EP-4308580-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES Boehringer Ingelheim International GmbH (DE) 2024-01-24 EP disclosed
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
EP-3728283-B1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
CN-116981677-A Chiral synthons for synthesis of chiral phosphorothioates 勃林格殷格翰国际有限公司 2023-10-31 CN disclosed
EP-3934757-B1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-02-22 EP disclosed
WO-2022194924-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-09-22 WO disclosed
EP-3728283-A1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2020-10-28 EP disclosed
US-20190322696-A1 3'3'-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-20190322697-A1 2'2'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US 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-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
US-20190183917-A1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-20190185509-A1 2'2' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 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 (8 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 KDM4E 2659/4885ALDH1A1 4801/4885BCL2 3901/4885
US-20190322695-A1 2'3'-CYCLIC DINUCLEOTIDES STING1, MAVS, CGAS KDM4E 2575/4885ALDH1A1 4795/4885BCL2 3914/4885
US-20190185509-A1 2'2' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, TBK1 KDM4E 2418/4885ALDH1A1 4794/4885BCL2 2401/4885
US-12318403-B2 2′3′-cyclic dinucleotides and prodrugs thereof STING1, CGAS, NT5C2 KDM4E 2823/4885ALDH1A1 3309/4885BCL2 3321/4885
US-20190322696-A1 3'3'-CYCLIC DINUCLEOTIDES STING1, CGAS, MAVS KDM4E 2572/4885ALDH1A1 4806/4885BCL2 4422/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 KDM4E 2531/4885ALDH1A1 4676/4885BCL2 3014/4885
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES TYMP, RNGTT, TYMS KDM4E 4616/4885ALDH1A1 3127/4885BCL2 4838/4885
US-20190183917-A1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, IRF3, CGAS KDM4E 2479/4885ALDH1A1 4735/4885BCL2 3767/4885

“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.