SCHEMBL22401432

SCHEMBL22401432

CC(C)C(=O)Nc1nc2c(nnn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HRAS P01112 1/20 0.43
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GAPDH P04406 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ PAX3 P23760 1/20 0.35

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
SCHEMBL27216181 0.93 MEN1 (0.47) MEN1USP2POLBKMT2AHRAS
SCHEMBL18490686 0.93 MEN1 (0.47) MEN1USP2POLBKMT2AHRAS
SCHEMBL27251023 0.92 MEN1 (0.45) MEN1USP2POLBKMT2AHRAS
SCHEMBL22883454 0.92 MEN1 (0.48) MEN1USP2POLBKMT2AHRAS
SCHEMBL21925882 0.87 KDM4E (0.41) MEN1USP2POLBKMT2AHRAS
SCHEMBL18510812 0.87 MEN1 (0.40) MEN1USP2POLBKMT2AHRAS
SCHEMBL12459063 0.86 MEN1 (0.51) MEN1USP2POLBKMT2ALMNA
SCHEMBL2032731 0.86 MEN1 (0.51) MEN1USP2POLBKMT2ALMNA
SCHEMBL12582835 0.86 MEN1 (0.51) MEN1USP2POLBKMT2ALMNA
SCHEMBL22401434 0.84 MEN1 (0.60) MEN1USP2POLBKMT2AHRAS

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 9 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-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
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
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 — — US disclosed
EP-3707151-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2020-09-16 — — EP 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 MEN1 1016/4885USP2 3208/4885POLB 906/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS MEN1 1016/4885USP2 3208/4885POLB 906/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS MEN1 1016/4885USP2 3208/4885POLB 906/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS MEN1 1016/4885USP2 3208/4885POLB 906/4885

“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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