SCHEMBL30185281

SCHEMBL30185281

O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2F)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ APP P05067 1/20 0.42
▸ MPL P40238 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ EIF4E P06730 3/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ NTRK1 P04629 1/20 0.37

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
SCHEMBL24985105 1.00 CTSA (0.43) CTSAHSD11B1APPMPLALOX5AP
SCHEMBL22366919 0.92 NPSR1 (0.44) CTSAHSD11B1DHODHNPSR1GLA
SCHEMBL30185186 0.92 NPSR1 (0.44) CTSAHSD11B1DHODHNPSR1GLA
SCHEMBL30185097 0.91 PIN1 (0.40) CTSAHSD11B1APPDHODHNPSR1
SCHEMBL24985545 0.91 PIN1 (0.40) CTSAHSD11B1APPDHODHNPSR1
SCHEMBL30185289 0.87 CTSA (0.44) CTSAALOX5APFEN1AKR1C3AKR1C2
SCHEMBL24985646 0.87 CTSA (0.44) CTSAALOX5APFEN1AKR1C3AKR1C2
SCHEMBL24984549 0.85 CTSA (0.47) CTSAHSD11B1APPNPSR1MRGPRX4
SCHEMBL30185243 0.85 CTSA (0.47) CTSAHSD11B1APPNPSR1MRGPRX4
SCHEMBL25219955 0.79 MPL (0.43) CTSAHSD11B1APPMPLALOX5AP

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 CTSA 4611/4885HSD11B1 3958/4885APP 4240/4885

“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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