SCHEMBL25004874

SCHEMBL25004874

CC(C)[C@H]1C[C@@H]1c1ccc2c(c1)nc(C(F)F)n2CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.36
▸ S1PR1 P21453 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL25005237 0.91 AAK1 (0.42) AAK1S1PR1TLR9TLR8TLR7
SCHEMBL25005541 0.76 CHRNB2 (0.36) —
SCHEMBL23995271 0.74 HTR2A (0.39) —
SCHEMBL25004510 0.74 CHEK1 (0.33) —
SCHEMBL28947638 0.73 AAK1 (0.37) AAK1
SCHEMBL30224721 0.73 AAK1 (0.37) AAK1
SCHEMBL25005538 0.71 EGFR (0.36) —
SCHEMBL23994564 0.71 HTR2A (0.39) —
SCHEMBL23994584 0.68 HTR3A (0.35) —
SCHEMBL25004790 0.68 ESR1 (0.36) —

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E AAK1 3729/4885S1PR1 870/4885CNR2 1959/4885

“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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