SCHEMBL23994587

SCHEMBL23994587

CC(C)[C@H]1C[C@@H]1c1ccc2ccn(CC(F)(F)F)c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP19 O94966 4/20 0.35
▸ PSMB1 P20618 3/20 0.34
▸ PSMB5 P28074 3/20 0.34
▸ DDR1 Q08345 3/20 0.33
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.30
▸ HTR3A P46098 2/20 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
SCHEMBL23994584 0.83 HTR3A (0.35) HTR3A
SCHEMBL25004510 0.74 CHEK1 (0.33) CHEK1
SCHEMBL30181718 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL23993848 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL25005534 0.72 HTR3A (0.36) HTR3A
SCHEMBL23995229 0.71 PDE10A (0.32) PDE10A
SCHEMBL30224160 0.71 PSMB1 (0.49) USP19PSMB1PSMB5DDR1HDAC3
SCHEMBL2950988 0.71 PSMB1 (0.49) USP19PSMB1PSMB5DDR1HDAC3
SCHEMBL2960107 0.71 MEN1 (0.37) USP19PSMB1PSMB5DDR1HDAC3
SCHEMBL2952038 0.70 PSMB1 (0.35) USP19PSMB1PSMB5DDR1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E USP19 4662/4885PSMB1 4783/4885PSMB5 4616/4885

“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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