SCHEMBL21878043

SCHEMBL21878043

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.60
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
KDM4E B2RXH2 1/20 0.43
NT5E P21589 1/20 0.42
HINT1 P49773 1/20 0.42
ADORA1 P30542 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41

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
SCHEMBL7764877 1.00 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL1582054 0.95 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL3313773 0.95 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL18954969 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL21160998 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL18954966 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL21160996 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL19493329 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL17304337 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL7267975 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP 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-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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 (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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 TYMP 2973/4885TAS1R3 201/4885TAS1R1 124/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TYMP 3035/4885TAS1R3 212/4885TAS1R1 134/4885
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.