SCHEMBL23455960

SCHEMBL23455960

O[C@H]1C[C@H](Oc2ccncn2)C[C@@H]1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 14/20 0.49
UBA3 Q8TBC4 14/20 0.49
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN2B Q13224 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
MTAP Q13126 1/20 0.33

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
SCHEMBL22401426 1.00 NAE1 (0.49) NAE1UBA3CYP3A4CYP2D6CYP2C9
SCHEMBL23487495 1.00 NAE1 (0.49) NAE1UBA3CYP3A4CYP2D6CYP2C9
SCHEMBL24165806 0.82 NAE1 (0.36) NAE1UBA3CYP3A4CYP2D6CYP2C9
SCHEMBL30164249 0.82 NAE1 (0.36) NAE1UBA3CYP3A4CYP2D6CYP2C9
SCHEMBL23456080 0.82 NAE1 (0.36) NAE1UBA3CYP3A4CYP2D6CYP2C9
SCHEMBL23487922 0.82 NAE1 (0.57) NAE1UBA3
SCHEMBL23456068 0.82 NAE1 (0.57) NAE1UBA3
SCHEMBL24165805 0.81 CTSL (0.38) CYP3A4CYP2D6CYP2C9GRIN2BTAAR1
SCHEMBL23455999 0.80 NAE1 (0.40) NAE1UBA3
SCHEMBL23487450 0.80 NAE1 (0.40) NAE1UBA3

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 2354/4885CYP3A4 4560/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885CYP3A4 4560/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885CYP3A4 4560/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885CYP3A4 4560/4885

“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.