SCHEMBL23455991

SCHEMBL23455991

COc1ccc(C(OC[C@H]2C[C@@H](Nc3ncncn3)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.37
▸ SAE1 Q9UBE0 3/20 0.35
▸ UBA2 Q9UBT2 3/20 0.35
▸ NAE1 Q13564 2/20 0.35
▸ UBA3 Q8TBC4 2/20 0.35
▸ SLC6A1 P30531 2/20 0.34
▸ SLC6A11 P48066 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ VNN1 O95497 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL23456015 0.88 TYMP (0.37) TYMPSAE1UBA2NAE1UBA3
SCHEMBL23456114 0.83 NAE1 (0.37) TYMPSAE1UBA2NAE1UBA3
SCHEMBL23456248 0.82 TYMP (0.37) TYMPSAE1UBA2NAE1UBA3
SCHEMBL22401442 0.80 NAE1 (0.41) TYMPSAE1UBA2NAE1UBA3
SCHEMBL23456278 0.80 NAE1 (0.41) TYMPSAE1UBA2NAE1UBA3
SCHEMBL23456008 0.78 TYMP (0.36) TYMPSLC6A1SLC6A11AHR
SCHEMBL23456102 0.75 SLC6A1 (0.33) TYMPSLC6A1SLC6A11GAAMEN1
SCHEMBL23456033 0.74 NAE1 (0.40) TYMPSAE1UBA2NAE1UBA3
SCHEMBL23456058 0.73 TYMP (0.37) TYMPNAE1UBA3SLC6A1SLC6A11
SCHEMBL23456175 0.72 TYMP (0.37) TYMPNAE1UBA3SLC6A1SLC6A11

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 TYMP 1316/4885SAE1 2353/4885UBA2 3114/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885SAE1 2353/4885UBA2 3114/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS TYMP 1316/4885SAE1 2353/4885UBA2 3114/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885SAE1 2353/4885UBA2 3114/4885

“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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