SCHEMBL23456070

SCHEMBL23456070

COc1ccc(C(OC[C@H]2C[C@@H](Nc3cc(Cl)nc(C)n3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 3/20 0.34
▸ UBA3 Q8TBC4 3/20 0.34
▸ TYMP P19971 1/20 0.34
▸ MCHR1 Q99705 5/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ UBA1 P22314 1/20 0.31
▸ UBE2E1 P51965 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
SCHEMBL23456027 0.86 TYMP (0.36) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456067 0.79 ACP1 (0.39) NAE1UBA3TYMPHTTSMN1; SMN2
SCHEMBL22401404 0.79 ACP1 (0.39) NAE1UBA3TYMPHTTSMN1; SMN2
SCHEMBL23456248 0.78 TYMP (0.37) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456033 0.74 NAE1 (0.40) NAE1UBA3TYMP
SCHEMBL22401408 0.73 NPC1 (0.35) NAE1UBA3NPC1RAB9AMEN1
SCHEMBL23455970 0.73 NPC1 (0.35) NAE1UBA3NPC1RAB9AMEN1
SCHEMBL23456061 0.72 TYMP (0.36) NAE1UBA3TYMPNPC1SMN1; SMN2
SCHEMBL23456114 0.71 NAE1 (0.37) NAE1UBA3TYMPNPC1LMNA
SCHEMBL6406106 0.67 SLC6A11 (0.47) SLC6A1SLC6A11MEN1KMT2A

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 NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 1316/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885TYMP 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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