SCHEMBL18490221

SCHEMBL18490221

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[PH](=O)O)[C@@H]2F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.51
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NT5E P21589 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.38
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35

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
SCHEMBL18490534 1.00 TYMP (0.51) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL25379844 1.00 TYMP (0.51) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL29881756 1.00 TYMP (0.51) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL18490579 0.97 TYMP (0.48) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL20474391 0.96 TYMP (0.52) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL20481628 0.96 TYMP (0.52) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL18048082 0.95 TYMP (0.51) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL30524667 0.95 TYMP (0.51) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL20474384 0.93 TYMP (0.49) TYMPTAS1R3TAS1R1NT5EKDM4E
SCHEMBL18490429 0.93 TYMP (0.49) TYMPTAS1R3TAS1R1NT5EKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-07-04 US disclosed
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 EP disclosed
US-11883420-B2 Sting agonists for treating bladder cancer and solid tumors Venenum Biodesign, LLC (US) 2024-01-30 US disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 US disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20210290645-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS Venenum Biodesign, LLC (US) 2021-09-23 US disclosed
US-11110106-B2 Sting agonists for treating bladder cancer and solid tumors Venenum Biodesign, LLC (US) 2021-09-07 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-20210060041-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS Venenum Biodesign, LLC (US) 2021-03-04 US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 US disclosed
US-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 US disclosed
EP-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 EP disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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 (16 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS STING1, IFNAR1, CGAS TYMP 208/4885TAS1R3 165/4885TAS1R1 171/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 TYMP 2973/4885TAS1R3 201/4885TAS1R1 124/4885
US-20210290645-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS STING1, CGAS, TBK1 TYMP 557/4885TAS1R3 294/4885TAS1R1 199/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TYMP 3035/4885TAS1R3 212/4885TAS1R1 134/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2186/4885TAS1R3 560/4885TAS1R1 184/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-11883420-B2 Sting agonists for treating bladder cancer and solid tumors STING1, CGAS, TBK1 TYMP 557/4885TAS1R3 294/4885TAS1R1 199/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-20210060041-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS STING1, CGAS, TBK1 TYMP 557/4885TAS1R3 294/4885TAS1R1 199/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TYMP 1508/4885TAS1R3 453/4885TAS1R1 161/4885
US-11110106-B2 Sting agonists for treating bladder cancer and solid tumors STING1, CGAS, TBK1 TYMP 557/4885TAS1R3 294/4885TAS1R1 199/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TYMP 2997/4885TAS1R3 194/4885TAS1R1 103/4885

“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.