SCHEMBL23456083

SCHEMBL23456083

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ HTR1A P08908 6/20 0.33
▸ HTR7 P34969 6/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ NAAA Q02083 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
SCHEMBL22401445 0.88 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL23456103 0.88 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL22401427 0.85 NAE1 (0.36) SLC6A1SLC6A11TYMPHTR1AHTR7
SCHEMBL23456069 0.85 NAE1 (0.36) SLC6A1SLC6A11TYMPHTR1AHTR7
SCHEMBL23455982 0.84 HTR1A (0.33) SLC6A1SLC6A11TYMPHTR1AHTR7
SCHEMBL22401411 0.80 EGFR (0.44) RAB9A
SCHEMBL23456264 0.80 EGFR (0.44) RAB9A
SCHEMBL27250631 0.76 GRIN1 (0.40) EPHX2GRIN1GRIN2BNAAA
SCHEMBL23456118 0.75 GRIN1 (0.40) EPHX2GRIN1GRIN2BNAAA
SCHEMBL23455989 0.73 NAE1 (0.40) 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 SLC6A1 3437/4885SLC6A11 3399/4885TYMP 1316/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SLC6A1 3437/4885SLC6A11 3399/4885TYMP 1316/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS SLC6A1 3437/4885SLC6A11 3399/4885TYMP 1316/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SLC6A1 3437/4885SLC6A11 3399/4885TYMP 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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