SCHEMBL27250613

SCHEMBL27250613

CC[C@H]1C[C@@H](Oc2cc(NC(=O)c3ccccc3)ncn2)C[C@@H]1O[PH](=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ ERBB3 P21860 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ NAE1 Q13564 6/20 0.35
▸ UBA3 Q8TBC4 6/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL23456000 0.92 EGFR (0.41) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL27250614 0.85 EGFR (0.49) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL27250616 0.85 EGFR (0.49) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL22401411 0.83 EGFR (0.44) EGFRERBB3SMN1; SMN2NPC1ADORA3
SCHEMBL23456264 0.83 EGFR (0.44) EGFRERBB3SMN1; SMN2NPC1ADORA3
SCHEMBL30164347 0.78 NAE1 (0.47) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL23456099 0.78 NAE1 (0.47) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL23487982 0.75 EGFR (0.42) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL27252043 0.74 EGFR (0.47) EGFRERBB3SMN1; SMN2NPC1ALDH1A1
SCHEMBL30164164 0.72 EGFR (0.38) EGFRERBB3SMN1; SMN2NPC1ALDH1A1

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 EGFR 1818/4885ERBB3 3787/4885SMN1; SMN2 1969/4885

“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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