Sugi Predict

Sugi Predict / Compounds / SCHEMBL869547

SCHEMBL869547

SCHEMBL869547

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.42
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL869871 0.94 PDK2 (0.40) PDK2KDM4EGAALMNAMAPT
SCHEMBL16692835 0.94 PDK2 (0.40) PDK2KDM4EGAALMNAMAPT
SCHEMBL980171 0.94 PDK2 (0.39) PDK2KDM4EGAALMNAMAPT
SCHEMBL870037 0.91 PDK2 (0.43) PDK2KDM4EGAALMNAMAPT
SCHEMBL871262 0.91 PDK2 (0.40) PDK2KDM4EGAALMNAMAPT
SCHEMBL871382 0.89 PDK2 (0.36) PDK2KDM4EMAPTKMT2ACA1
SCHEMBL21863425 0.89 PDK2 (0.36) PDK2KDM4EMAPTKMT2ACA1
SCHEMBL870662 0.89 PDK2 (0.39) PDK2KDM4EGAALMNAMAPT
SCHEMBL1937598 0.89 PDK2 (0.36) PDK2KDM4EMAPTKMT2ACA1
SCHEMBL21863693 0.89 PDK2 (0.39) PDK2CA1CA2CNR1HPGD

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 — — EP disclosed
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 — — EP disclosed
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 — — EP disclosed
CN-105646215-B Process for the preparation of 3-trifluoromethyl chalcones 杜邦公司 2020-04-14 — — CN disclosed
US-10160731-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-12-25 — — US disclosed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 — — US disclosed
US-9938248-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-04-10 — — US disclosed
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-03-01 — — US disclosed
US-9834523-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-05 — — US disclosed
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 — — EP disclosed
WO-2010025998-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-11 — — WO disclosed
WO-2010025998-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-11 — — WO disclosed
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 — — EP disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 — — WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 — — WO disclosed
WO-2010020521-A1 INSCETICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 — — WO disclosed
WO-2009126668-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-15 — — WO disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 — — WO disclosed
EP-1973888-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-01 — — EP disclosed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 — — WO 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 (3 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-10160731-B2 Method for preparing 3-trifluoromethyl chalcones NR3C2, CYP4A11, RAE1 PDK2 4164/4885KDM4E 313/4885GAA 4374/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885KDM4E 313/4885GAA 4374/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885KDM4E 313/4885GAA 4374/4885

“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.