SCHEMBL23456102

SCHEMBL23456102

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ CHRM3 P20309 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL23456015 0.86 TYMP (0.37) SLC6A1SLC6A11TYMPACP1CYP3A4
SCHEMBL22401442 0.82 NAE1 (0.41) SLC6A1SLC6A11TYMPACP1CYP3A4
SCHEMBL23456278 0.82 NAE1 (0.41) SLC6A1SLC6A11TYMPACP1CYP3A4
SCHEMBL23456122 0.79 TYMP (0.36) SLC6A1SLC6A11TYMPACP1CYP3A4
SCHEMBL30960563 0.79 TYMP (0.36) SLC6A1SLC6A11TYMPACP1CYP3A4
SCHEMBL23455967 0.77 EPHX2 (0.34) CYP3A4CYP2D6CYP2C9
SCHEMBL23456026 0.77 EPHX2 (0.34) CYP3A4CYP2D6CYP2C9
SCHEMBL23487869 0.77 EPHX2 (0.34) CYP3A4CYP2D6CYP2C9
SCHEMBL24166573 0.77 EPHX2 (0.34) CYP3A4CYP2D6CYP2C9
SCHEMBL23456031 0.77 TYMP (0.36) SLC6A1SLC6A11TYMPACP1CYP3A4

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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