SCHEMBL22401434

SCHEMBL22401434

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 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ PNP P00491 3/20 0.47
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ HRAS P01112 1/20 0.46
▸ HINT1 P49773 3/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ GAPDH P04406 2/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL27216182 0.93 MEN1 (0.51) MEN1USP2POLBKMT2ACA1
SCHEMBL18490666 0.93 MEN1 (0.51) MEN1USP2POLBKMT2ACA1
SCHEMBL27251025 0.90 MEN1 (0.47) MEN1USP2POLBKMT2ACA1
SCHEMBL22883456 0.90 ALDH1A1 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL22704376 0.90 ALDH1A1 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL23456224 0.86 MEN1 (0.44) MEN1USP2POLBKMT2ACA1
SCHEMBL18510811 0.85 MEN1 (0.42) MEN1USP2POLBKMT2ACA1
SCHEMBL6883237 0.84 GSK3A (0.62) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL22401432 0.84 MEN1 (0.55) MEN1USP2POLBKMT2ACA1
SCHEMBL13022843 0.83 MEN1 (0.56) MEN1USP2POLBKMT2ACA1

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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