SCHEMBL23456278

SCHEMBL23456278

COc1ccc(C(OC[C@H]2C[C@@H](Nc3ccncn3)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 5/20 0.41
▸ UBA3 Q8TBC4 5/20 0.41
▸ TYMP P19971 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ SLC6A1 P30531 2/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL22401442 1.00 NAE1 (0.41) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL23456015 0.92 TYMP (0.37) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL30960563 0.87 TYMP (0.36) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL23456122 0.87 TYMP (0.36) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL23456031 0.87 TYMP (0.36) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL22401404 0.85 ACP1 (0.39) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL23456067 0.85 ACP1 (0.39) NAE1UBA3TYMPACP1CYP3A4
SCHEMBL23456102 0.82 SLC6A1 (0.33) TYMPACP1CYP3A4CYP1A2CYP2D6
SCHEMBL23455991 0.80 TYMP (0.37) NAE1UBA3TYMPIRAK4SLC6A1
SCHEMBL23456114 0.78 NAE1 (0.37) NAE1UBA3TYMPHTTSMN1; SMN2

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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