SCHEMBL27115249

SCHEMBL27115249

O=C(N1CCC1C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
EPHX1 P07099 2/20 0.32
EPHX2 P34913 1/20 0.30
NAMPT P43490 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
SCHEMBL27326098 0.74 PDK2 (0.37) ESR1ESR2EPHX1EPHX2
SCHEMBL27326097 0.74 PDK2 (0.37) ESR1ESR2EPHX1EPHX2
SCHEMBL27115233 0.74 PDK2 (0.37) ESR1ESR2EPHX1EPHX2
SCHEMBL24333749 0.74 MEN1 (0.35) EPHX2
SCHEMBL5702065 0.72 LMNA (0.45)
SCHEMBL23013222 0.72 LMNA (0.45)
SCHEMBL5702261 0.72 LMNA (0.45)
SCHEMBL20221854 0.72 LMNA (0.55) NAMPT
SCHEMBL22541499 0.72 LMNA (0.44)
SCHEMBL18701781 0.71 LMNA (0.50) EPHX2NAMPT

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-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 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-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 ESR1 3399/4885ESR2 3135/4885EPHX1 1410/4885

“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.