SCHEMBL27250596

SCHEMBL27250596

CC[C@H]1C[C@@H](Oc2cc(Cl)ncn2)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.46
UBA3 Q8TBC4 16/20 0.46
ELOVL1 Q9BW60 2/20 0.33
S1PR1 P21453 2/20 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
SCHEMBL14719969 0.88 NAE1 (0.47) NAE1UBA3ELOVL1S1PR1
SCHEMBL15024155 0.85 NAE1 (0.35) NAE1UBA3ELOVL1S1PR1
SCHEMBL27250579 0.85 NAE1 (0.35) NAE1UBA3ELOVL1S1PR1
SCHEMBL23456068 0.78 NAE1 (0.57) NAE1UBA3
SCHEMBL23487922 0.78 NAE1 (0.57) NAE1UBA3
SCHEMBL15024140 0.78 NAE1 (0.36) NAE1UBA3ELOVL1S1PR1
SCHEMBL27250572 0.77 NAE1 (0.39) NAE1UBA3
SCHEMBL27251068 0.75 AHCY (0.31) NAE1UBA3
SCHEMBL38661308 0.72 S1PR1 (0.43) NAE1UBA3ELOVL1S1PR1
SCHEMBL27250632 0.72 GRIN1 (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 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 (1 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-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS NAE1 1571/4885UBA3 2354/4885ELOVL1 3922/4885

“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.