SCHEMBL22366843

SCHEMBL22366843

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MRGPRX4 Q96LA9 4/20 0.42
▸ ALPL P05186 2/20 0.42
▸ CFTR P13569 1/20 0.41
▸ AGPAT2 O15120 2/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TRPV3 Q8NET8 2/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL30185251 1.00 NPSR1 (0.43) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL24987875 0.92 ALPL (0.41) NPSR1MRGPRX4ALPLALDH1A1MEN1
SCHEMBL22366910 0.90 NPSR1 (0.45) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL30185174 0.90 NPSR1 (0.45) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL24985309 0.89 NPSR1 (0.44) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL22366804 0.88 NPSR1 (0.43) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL24987861 0.88 NPSR1 (0.43) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL30185273 0.88 NPSR1 (0.43) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL30185313 0.88 NPSR1 (0.43) NPSR1MRGPRX4ALPLCFTRAGPAT2
SCHEMBL24985021 0.87 NPSR1 (0.42) NPSR1MRGPRX4ALPLCFTRAGPAT2

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 — — EP disclosed
CN-111278283-A Pyridine and pyrimidine formate herbicides and methods of use thereof 美国陶氏益农公司 2020-06-12 — — CN 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT NPSR1 2945/4885MRGPRX4 1870/4885ALPL 2550/4885

“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.

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