SCHEMBL23455982

SCHEMBL23455982

COc1ccc(C(OC[C@H]2C[C@@H](Oc3cnccn3)C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.33
▸ HTR7 P34969 6/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ SLC6A1 P30531 2/20 0.30
▸ SLC6A11 P48066 1/20 0.30
▸ TYMP P19971 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL23456159 0.88 SLC6A1 (0.30) SLC6A1SLC6A11TYMP
SCHEMBL23455994 0.85 SLC6A1 (0.30) SLC6A1SLC6A11
SCHEMBL23456069 0.84 NAE1 (0.36) HTR1AHTR7GRIN1GRIN2BSLC6A1
SCHEMBL22401427 0.84 NAE1 (0.36) HTR1AHTR7GRIN1GRIN2BSLC6A1
SCHEMBL23456083 0.84 SLC6A1 (0.33) HTR1AHTR7GRIN1GRIN2BSLC6A1
SCHEMBL23456054 0.79 SLC6A11 (0.37) SLC6A1SLC6A11TYMP
SCHEMBL23456103 0.72 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL22401445 0.72 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL23455989 0.71 NAE1 (0.40) SLC6A1SLC6A11TYMP
SCHEMBL23455980 0.68 SLC6A11 (0.35) SLC6A1SLC6A11TYMP

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 HTR1A 1999/4885HTR7 2391/4885GRIN1 2969/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS HTR1A 1999/4885HTR7 2391/4885GRIN1 2969/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS HTR1A 1999/4885HTR7 2391/4885GRIN1 2969/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS HTR1A 1999/4885HTR7 2391/4885GRIN1 2969/4885

“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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