SCHEMBL24985309

SCHEMBL24985309

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CFTR P13569 1/20 0.42
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ CES2 O00748 1/20 0.41
▸ AGPAT2 O15120 2/20 0.41
▸ ALPL P05186 1/20 0.40
▸ NOTUM Q6P988 3/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ EIF4E P06730 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL22366910 0.91 NPSR1 (0.45) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL30185174 0.91 NPSR1 (0.45) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL22366843 0.89 NPSR1 (0.43) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL30185313 0.89 NPSR1 (0.43) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL30185251 0.89 NPSR1 (0.43) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL24987861 0.89 NPSR1 (0.43) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL24985021 0.88 NPSR1 (0.42) NPSR1CFTRMRGPRX4AGPAT2ALPL
SCHEMBL24984357 0.88 MRGPRX4 (0.45) NPSR1CFTRMRGPRX4AGPAT2PTGDR2
SCHEMBL24985042 0.87 EIF4E (0.43) NPSR1CFTRMRGPRX4CES2AGPAT2
SCHEMBL30185249 0.87 EIF4E (0.43) NPSR1CFTRMRGPRX4CES2AGPAT2

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 1 patent. 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

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 2945/4885CFTR 4476/4885MRGPRX4 1870/4885

“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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