SCHEMBL23455980

SCHEMBL23455980

COc1ccc(C(OC[C@H]2C[C@@H](Oc3cnsn3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 4/20 0.35
▸ SLC6A1 P30531 2/20 0.35
▸ NAE1 Q13564 10/20 0.34
▸ UBA3 Q8TBC4 10/20 0.34
▸ TYMP P19971 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A12 P48065 1/20 0.31
▸ SLC6A13 Q9NSD5 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
SCHEMBL23455994 0.84 SLC6A1 (0.30) SLC6A11SLC6A1
SCHEMBL23456069 0.83 NAE1 (0.36) SLC6A11SLC6A1NAE1UBA3TYMP
SCHEMBL22401427 0.83 NAE1 (0.36) SLC6A11SLC6A1NAE1UBA3TYMP
SCHEMBL23455989 0.81 NAE1 (0.40) SLC6A11SLC6A1NAE1UBA3TYMP
SCHEMBL24166545 0.75 — —
SCHEMBL23487838 0.75 — —
SCHEMBL23456613 0.75 EGFR (0.48) NAE1UBA3
SCHEMBL30960669 0.75 EGFR (0.48) NAE1UBA3
SCHEMBL23456175 0.69 TYMP (0.37) SLC6A11SLC6A1NAE1UBA3TYMP
SCHEMBL23456248 0.69 TYMP (0.37) SLC6A11SLC6A1NAE1UBA3TYMP

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 SLC6A11 3399/4885SLC6A1 3437/4885NAE1 1571/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SLC6A11 3399/4885SLC6A1 3437/4885NAE1 1571/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS SLC6A11 3399/4885SLC6A1 3437/4885NAE1 1571/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SLC6A11 3399/4885SLC6A1 3437/4885NAE1 1571/4885

“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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