SCHEMBL23456248

SCHEMBL23456248

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.37
▸ SLC6A1 P30531 2/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ NAE1 Q13564 8/20 0.35
▸ UBA3 Q8TBC4 8/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SAE1 Q9UBE0 7/20 0.34
▸ UBA2 Q9UBT2 7/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL22401404 0.88 ACP1 (0.39) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456067 0.88 ACP1 (0.39) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456033 0.85 NAE1 (0.40) TYMPNAE1UBA3SAE1UBA2
SCHEMBL23455991 0.82 TYMP (0.37) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456027 0.81 TYMP (0.36) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456175 0.80 TYMP (0.37) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456061 0.80 TYMP (0.36) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456070 0.78 NAE1 (0.34) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23455989 0.77 NAE1 (0.40) TYMPSLC6A1SLC6A11NAE1UBA3
SCHEMBL23456278 0.74 NAE1 (0.41) TYMPSLC6A1SLC6A11NAE1UBA3

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 1316/4885SLC6A1 3437/4885SLC6A11 3399/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885SLC6A1 3437/4885SLC6A11 3399/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS TYMP 1316/4885SLC6A1 3437/4885SLC6A11 3399/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885SLC6A1 3437/4885SLC6A11 3399/4885

“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.

Send feedback