SCHEMBL339427

SCHEMBL339427

COC(=O)c1cc(C=Cn2nnnc2C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.35
DHODH Q02127 1/20 0.34
NOTUM Q6P988 2/20 0.34
TRPA1 O75762 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
RBP4 P02753 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
SCHEMBL45070 1.00 MALT1 (0.35) MALT1DHODHNOTUMTRPA1TRPV1
SCHEMBL339307 0.90 TRPV1 (0.33) MALT1TRPA1TRPV1
SCHEMBL339306 0.90 TRPV1 (0.33) MALT1TRPA1TRPV1
SCHEMBL45475 0.84 TRPA1 (0.35) MALT1DHODHTRPA1TRPV1
SCHEMBL45427 0.83 MALT1 (0.35) MALT1DHODHNOTUMTRPA1TRPV1
SCHEMBL340885 0.83 MALT1 (0.35) MALT1DHODHNOTUMTRPA1TRPV1
SCHEMBL15862865 0.80 DHODH (0.36) MALT1DHODHNOTUMTRPA1TRPV1
SCHEMBL366582 0.78
SCHEMBL45109 0.78 MALT1 (0.38) MALT1DHODHTRPA1RBP4
SCHEMBL45298 0.78 DHODH (0.33) MALT1DHODHNOTUMTRPA1TRPV1

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-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES DDT, QDPR, ANTXR2 MALT1 4605/4885DHODH 197/4885NOTUM 1797/4885

“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.