SCHEMBL25005554

SCHEMBL25005554

C[C@H]1C[C@@H]1c1ccc2ccc(=O)n(CC(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 6/20 0.34
▸ KCNJ5 P48544 6/20 0.34
▸ KCNJ3 P48549 6/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ BTK Q06187 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL23994607 0.86 SLC6A4 (0.34) CHEK1BTK
SCHEMBL25004510 0.85 CHEK1 (0.33) CHEK1THRATHRB
SCHEMBL23995261 0.74 KCNJ6 (0.36) KCNJ6KCNJ5KCNJ3
SCHEMBL30224224 0.73 HDAC1 (0.49) CHEK1HDAC1HDAC6THRATHRB
SCHEMBL23993198 0.73 HDAC1 (0.49) CHEK1HDAC1HDAC6THRATHRB
SCHEMBL23995236 0.72 THRA (0.32) THRATHRB
SCHEMBL30224480 0.72 THRA (0.32) THRATHRB
SCHEMBL23995220 0.72 THRA (0.32) THRATHRB
SCHEMBL9372428 0.70 CA12 (0.47) HDAC1HDAC6HDAC8
SCHEMBL25005705 0.68 HTR3A (0.35) KCNJ6KCNJ5KCNJ3

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 KCNJ6 3297/4885KCNJ5 2932/4885KCNJ3 3311/4885

“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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