SCHEMBL27008317

SCHEMBL27008317

CCSc1oc2c([C@@H](C)NC(=O)O)cc(C(F)(F)F)cc2c(=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.45
▸ PPARG P37231 2/20 0.33
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE2A O00408 3/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ AKT3 Q9Y243 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27126273 1.00 PIK3CA (0.45) PIK3CAPPARGATML3MBTL1PDE2A
SCHEMBL26881116 0.90 PIK3CA (0.40) PIK3CAPPARGATML3MBTL1ALDH1A1
SCHEMBL30742393 0.90 PIK3CA (0.40) PIK3CAPPARGATML3MBTL1ALDH1A1
SCHEMBL23887386 0.87 PIK3CA (0.38) PIK3CAPDE2A
SCHEMBL31316391 0.87 PIK3CA (0.38) PIK3CAPDE2A
SCHEMBL26662684 0.87 PIK3CA (0.38) PIK3CAPDE2A
SCHEMBL30307526 0.87 PIK3CA (0.38) PIK3CAPDE2A
SCHEMBL23887408 0.85 PIK3CA (0.36) PIK3CA
SCHEMBL30584413 0.85 PIK3CA (0.36) PIK3CA
SCHEMBL26881034 0.85 PIK3CA (0.36) PIK3CA

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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — 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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PIK3CA 1/4885PPARG 695/4885ATM 520/4885

“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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