SCHEMBL21720501

SCHEMBL21720501

CC(C)(C)c1ccsc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
CA1 P00915 2/20 0.32
HPN P05981 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
ALOX5 P09917 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21720504 0.72 ESR1 (0.31)
SCHEMBL10119790 0.72 CA2 (0.39) CA2PTGS1PTGS2CA1MAPT
SCHEMBL1106127 0.72 CA2 (0.39) CA2PTGS1PTGS2CA1MAPT
SCHEMBL12281433 0.71 CA2 (0.34) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL19389847 0.70 CA2 (0.37) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL19066706 0.70 CA2 (0.37) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL10078874 0.70 CA2 (0.37) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL12281795 0.70 CA2 (0.37) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL18235313 0.68 CA2 (0.36) CA2PTGS1PTGS2CA1ALOX5
SCHEMBL24838556 0.67 CA2 (0.34) CA2PTGS1PTGS2CA1ALOX5

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
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA2 3320/4885PTGS1 499/4885PTGS2 1052/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA2 3320/4885PTGS1 499/4885PTGS2 1052/4885

“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.