SCHEMBL21778754

SCHEMBL21778754

CCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cnc(O)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.47
FEN1 P39748 13/20 0.47
DDR1 Q08345 3/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39

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
SCHEMBL18785058 0.85 ALOX5AP (0.49) ALOX5APFEN1DDR1PTGDR2
SCHEMBL18908796 0.81 ALOX5AP (0.43) ALOX5APFEN1DDR1PTGDR2
SCHEMBL18843004 0.80 ALOX5AP (0.43) ALOX5APFEN1DDR1PTGDR2
SCHEMBL21778753 0.78 MRGPRX4 (0.42) ALOX5APFEN1DDR1PTGDR2
SCHEMBL18785046 0.76 ALOX5AP (0.44) ALOX5APFEN1PTGDR2
SCHEMBL19501575 0.76 ALOX5AP (0.41) ALOX5APFEN1DDR1PTGDR2
SCHEMBL17664568 0.74 PTGDR2 (0.40) ALOX5APFEN1DDR1PTGDR2
SCHEMBL19501578 0.74 DDR1 (0.48) ALOX5APFEN1DDR1
SCHEMBL19501577 0.73 ALOX5AP (0.39) ALOX5APFEN1DDR1PTGDR2
SCHEMBL17664477 0.73 SCN9A (0.41) ALOX5APFEN1DDR1PTGDR2

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-20210230137-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-07-29 US disclosed
US-11001567-B2 Pyrazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-05-11 US disclosed
US-20200109128-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-04-09 US disclosed
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-03-03 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 (4 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-20210230137-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH ALOX5AP 381/4885FEN1 4522/4885DDR1 4833/4885
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same PPOX, NOX5, NISCH ALOX5AP 213/4885FEN1 4678/4885DDR1 4776/4885
US-11001567-B2 Pyrazine compound PPOX, NOX5, NISCH ALOX5AP 381/4885FEN1 4522/4885DDR1 4833/4885
US-20200109128-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH ALOX5AP 381/4885FEN1 4522/4885DDR1 4833/4885

“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.