SCHEMBL23455989

SCHEMBL23455989

COc1ccc(C(OC[C@H]2C[C@@H](Oc3ccncn3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 14/20 0.40
▸ UBA3 Q8TBC4 14/20 0.40
▸ TYMP P19971 1/20 0.36
▸ SLC6A1 P30531 2/20 0.35
▸ SLC6A11 P48066 1/20 0.35
▸ AHR P35869 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
SCHEMBL23456069 0.87 NAE1 (0.36) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL22401427 0.87 NAE1 (0.36) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456103 0.85 SLC6A1 (0.33) TYMPSLC6A1SLC6A11
SCHEMBL22401445 0.85 SLC6A1 (0.33) TYMPSLC6A1SLC6A11
SCHEMBL23456159 0.84 SLC6A1 (0.30) TYMPSLC6A1SLC6A11
SCHEMBL23456008 0.83 TYMP (0.36) TYMPSLC6A1SLC6A11AHR
SCHEMBL23455980 0.81 SLC6A11 (0.35) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456067 0.80 ACP1 (0.39) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL22401404 0.80 ACP1 (0.39) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456613 0.80 EGFR (0.48) NAE1UBA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054512-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-06 — — US disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 — — US disclosed
EP-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 — — EP disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 — — 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 (4 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-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885

“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.

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