SCHEMBL30960669

SCHEMBL30960669

COc1ccc(C(OC[C@H]2C[C@@H](Oc3cc(NC(=O)c4ccccc4)ncn3)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.48
▸ ERBB3 P21860 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.46
▸ NAE1 Q13564 14/20 0.44
▸ UBA3 Q8TBC4 14/20 0.44
▸ F2 P00734 1/20 0.40

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
SCHEMBL23456613 1.00 EGFR (0.48) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL22401411 0.88 EGFR (0.44) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL23456264 0.88 EGFR (0.44) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL27250614 0.82 EGFR (0.49) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL23456099 0.81 NAE1 (0.47) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL30164347 0.81 NAE1 (0.47) EGFRERBB3ADORA3NAE1UBA3
SCHEMBL23455989 0.80 NAE1 (0.40) NAE1UBA3
SCHEMBL22401427 0.77 NAE1 (0.36) NAE1UBA3
SCHEMBL23456069 0.77 NAE1 (0.36) NAE1UBA3
SCHEMBL23455980 0.75 SLC6A11 (0.35) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS EGFR 1818/4885ERBB3 3787/4885ADORA3 841/4885

“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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