A-226

A-226

SCHEMBL4455484

CCC(=NO)/C(C)=C/c1ccc(F)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 1.00
GABRA1 P14867 1/20 1.00
TRPA1 O75762 15/20 0.78
ABCB11 O95342 1/20 0.66
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
A-226 SCHEMBL3405856 1.00 SIGMAR1 (1.00) SIGMAR1GABRA1TRPA1ABCB11MEN1
A-226 SCHEMBL3405855 1.00 SIGMAR1 (1.00) SIGMAR1GABRA1TRPA1ABCB11MEN1
SCHEMBL3400624 0.88 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11HTT
SCHEMBL3400630 0.88 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11HTT
SCHEMBL3400635 0.88 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11HTT
SCHEMBL4455471 0.84 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11MEN1
SCHEMBL4455468 0.84 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11MEN1
SCHEMBL4455463 0.84 TRPA1 (1.00) SIGMAR1GABRA1TRPA1ABCB11MEN1
SCHEMBL4447576 0.82 TRPA1 (0.72) SIGMAR1GABRA1TRPA1ABCB11PTGS1
SCHEMBL4447574 0.82 TRPA1 (0.72) SIGMAR1GABRA1TRPA1ABCB11PTGS1

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-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 SIGMAR1 303/4885GABRA1 723/4885TRPA1 1/4885

“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.