SCHEMBL25854705

SCHEMBL25854705

CC(C)C(=O)NC1CCCCC1(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.33
TRPA1 O75762 1/20 0.31
JAK3 P52333 1/20 0.30
MAPT P10636 1/20 0.30
EPHX1 P07099 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25070058 0.79 CHRM1 (0.35) ATMTRPA1JAK3MAPT
SCHEMBL20696886 0.79 CHRM1 (0.35) ATMTRPA1JAK3MAPT
SCHEMBL20696753 0.79 CHRM1 (0.35) ATMTRPA1JAK3MAPT
SCHEMBL20696891 0.79 CHRM1 (0.35) ATMTRPA1JAK3MAPT
SCHEMBL15380366 0.78 TRPA1 (0.34) EPHX2TRPA1JAK3MAPTEPHX1
SCHEMBL16144313 0.77 TBK1 (0.32) EPHX2
SCHEMBL18347985 0.77 DPP4 (0.38) EPHX1SMN1; SMN2
SCHEMBL20696898 0.74 TYK2 (0.33) ATMJAK3
SCHEMBL20688132 0.74 TYK2 (0.33) ATMJAK3
SCHEMBL21245979 0.74 TYK2 (0.33) ATMJAK3

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-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 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-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 EPHX2 2636/4885ATM 1773/4885TRPA1 2652/4885

“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.