SCHEMBL31143335

SCHEMBL31143335

CS(=O)(=O)O[C@@H]1CCN(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.37
▸ CDK2 P24941 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL30511792 0.85 MYC (0.38) GRM5
SCHEMBL29021237 0.83 GRM5 (0.38) ACACBGRM5
SCHEMBL25339547 0.82 NOTUM (0.44) —
SCHEMBL25339552 0.82 NOTUM (0.44) —
SCHEMBL30694252 0.82 GRM5 (0.38) GRM5
SCHEMBL26003250 0.81 LRRK2 (0.37) FFAR4GRM5
SCHEMBL31312913 0.81 LRRK2 (0.37) FFAR4GRM5
SCHEMBL28899818 0.81 LTA4H (0.39) ACACBFFAR4GRM5
SCHEMBL25957189 0.81 LTA4H (0.39) ACACBFFAR4GRM5
SCHEMBL26171964 0.81 GRM5 (0.36) GRM5

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-20240368203-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2024-11-07 — — 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-20240368203-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 ACACB 2350/4885CDK2 1125/4885CDK9 1790/4885

“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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