SCHEMBL23625897

SCHEMBL23625897

C[C@H](NC(=O)C(F)(F)F)c1ccc([C@H](O)CC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.49
▸ CNR1 P21554 1/20 0.41
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL20289365 1.00 ACACB (0.49) ACACBCNR1GAAHPGDSMN1; SMN2
SCHEMBL21799081 1.00 ACACB (0.49) ACACBCNR1GAAHPGDSMN1; SMN2
SCHEMBL21799124 0.85 ACACB (0.48) ACACBCNR1GAAHPGDSMN1; SMN2
SCHEMBL20289737 0.85 ACACB (0.48) ACACBCNR1GAAHPGDSMN1; SMN2
SCHEMBL20289695 0.85 ACACB (0.48) ACACBCNR1GAAHPGDSMN1; SMN2
SCHEMBL21378363 0.81 CNR1 (0.45) ACACBCNR1
SCHEMBL19700693 0.81 CNR1 (0.45) ACACBCNR1
SCHEMBL20270226 0.80 CNR1 (0.44) ACACBCNR1POLB
SCHEMBL20270225 0.80 CNR1 (0.44) ACACBCNR1POLB
SCHEMBL19692717 0.80 ACACB (0.48) ACACBCNR1

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-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2021-07-08 — — 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-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B ACACB 996/4885CNR1 4540/4885GAA 1551/4885

“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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