SCHEMBL23456015

SCHEMBL23456015

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.37
▸ ACP1 P24666 1/20 0.36
▸ NAE1 Q13564 5/20 0.35
▸ UBA3 Q8TBC4 5/20 0.35
▸ SAE1 Q9UBE0 3/20 0.35
▸ UBA2 Q9UBT2 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A1 P30531 2/20 0.35
▸ SLC6A11 P48066 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ AHR P35869 1/20 0.32

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 0.92 NAE1 (0.41) TYMPACP1NAE1UBA3SAE1
SCHEMBL23456278 0.92 NAE1 (0.41) TYMPACP1NAE1UBA3SAE1
SCHEMBL23455991 0.88 TYMP (0.37) TYMPNAE1UBA3SAE1UBA2
SCHEMBL23456114 0.86 NAE1 (0.37) TYMPNAE1UBA3SAE1UBA2
SCHEMBL23456102 0.86 SLC6A1 (0.33) TYMPACP1CYP3A4CYP1A2CYP2D6
SCHEMBL23456031 0.85 TYMP (0.36) TYMPACP1NAE1UBA3CYP3A4
SCHEMBL23456122 0.83 TYMP (0.36) TYMPACP1NAE1UBA3CYP3A4
SCHEMBL30960563 0.83 TYMP (0.36) TYMPACP1NAE1UBA3CYP3A4
SCHEMBL23456067 0.83 ACP1 (0.39) TYMPACP1NAE1UBA3SAE1
SCHEMBL22401404 0.83 ACP1 (0.39) TYMPACP1NAE1UBA3SAE1

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 TYMP 1316/4885ACP1 3343/4885NAE1 1571/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885ACP1 3343/4885NAE1 1571/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS TYMP 1316/4885ACP1 3343/4885NAE1 1571/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TYMP 1316/4885ACP1 3343/4885NAE1 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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