A-079

A-079

SCHEMBL4451714

CCC(=NO)/C(C)=C/c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 1.00
SIGMAR1 Q99720 2/20 1.00
ABCB11 O95342 1/20 1.00
GABRA1 P14867 1/20 0.66
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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-079 SCHEMBL4457964 1.00 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
A-079 SCHEMBL1499371 1.00 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
A-079 SCHEMBL1499374 1.00 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL14227823 0.88 TRPA1 (0.78) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL1499480 0.87 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL4448485 0.87 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL1499481 0.87 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL1499532 0.84 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL1499530 0.84 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1
SCHEMBL4455059 0.84 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US claimed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 US claimed
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 TRPA1 1/4885SIGMAR1 303/4885ABCB11 861/4885

“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.