SCHEMBL3798535

SCHEMBL3798535

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.70
RXFP1 Q9HBX9 6/20 0.69
TP53 P04637 3/20 0.68
PORCN Q9H237 2/20 0.64
THRB P10828 1/20 0.63
CYP1A2 P05177 1/20 0.60
ALOX15 P16050 1/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL15394735 0.95 RXFP1 (0.66) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL3792597 0.91 TRPA1 (0.68) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL12584442 0.89 TRPA1 (0.75) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL3793531 0.89 TRPA1 (0.57) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL15394741 0.89 TRPA1 (0.68) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL3789024 0.88 RXFP1 (0.69) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL17527089 0.88 RXFP1 (0.69) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL1064145 0.88 TRPA1 (0.72) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL15394615 0.86 RXFP1 (0.69) TRPA1RXFP1TP53PORCNTHRB
SCHEMBL10130857 0.86 TRPA1 (0.77) TRPA1RXFP1TP53PORCNTHRB

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-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS ELI LILLY AND COMPANY 2017-06-01 US disclosed
US-9260430-B2 Use of TRPA1 antagonists to prevent or treat infections caused by biological-warfare agents HYDRA BIOSCIENCES, INC. (US) 2016-02-16 US disclosed
WO-2010138879-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES, INC. (US) 2010-12-02 WO disclosed
WO-2010138879-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES, INC. (US) 2010-12-02 WO 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-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885RXFP1 396/4885TP53 3881/4885

“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.