SCHEMBL30742393

SCHEMBL30742393

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ GAA P10253 1/20 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
SCHEMBL26881116 1.00 PIK3CA (0.40) PIK3CAALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL27126273 0.90 PIK3CA (0.45) PIK3CAALDH1A1L3MBTL1ATMPPARG
SCHEMBL27008317 0.90 PIK3CA (0.45) PIK3CAALDH1A1L3MBTL1ATMPPARG
SCHEMBL26880996 0.89 ALDH1A1 (0.38) PIK3CAALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL26880992 0.89 ALDH1A1 (0.38) PIK3CAALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL31316372 0.89 ALDH1A1 (0.38) PIK3CAALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL23887386 0.81 PIK3CA (0.38) PIK3CA
SCHEMBL31316391 0.81 PIK3CA (0.38) PIK3CA
SCHEMBL30307526 0.81 PIK3CA (0.38) PIK3CA
SCHEMBL26662684 0.81 PIK3CA (0.38) 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 1/4885ALDH1A1 3412/4885L3MBTL1 3117/4885

“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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