SCHEMBL980171

SCHEMBL980171

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
ACLY P53396 2/20 0.34
CFTR P13569 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
BDKRB1 P46663 1/20 0.32
CETP P11597 1/20 0.31
KMT2A Q03164 1/20 0.31
RAPGEF3 O95398 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
SCHEMBL869547 0.94 PDK2 (0.42) PDK2GAALMNAMAPTALDH1A1
SCHEMBL869874 0.94 CFTR (0.37) PDK2GAALMNAMAPTCFTR
SCHEMBL23784660 0.91 PDK2 (0.36) PDK2LMNAMAPTACLYALDH1A1
SCHEMBL16692835 0.90 PDK2 (0.40) PDK2GAALMNAMAPTALDH1A1
SCHEMBL870666 0.90 CFTR (0.34) PDK2GAALMNAMAPTCFTR
SCHEMBL10072323 0.90 CFTR (0.34) PDK2GAALMNAMAPTCFTR
SCHEMBL869871 0.90 PDK2 (0.40) PDK2GAALMNAMAPTKDM4E
SCHEMBL2780339 0.90 ACLY (0.38) PDK2GAALMNAACLYKMT2A
SCHEMBL30313890 0.90 ACLY (0.38) PDK2GAALMNAACLYKMT2A
SCHEMBL31366930 0.89 ACLY (0.33) GAALMNAACLYRAPGEF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3733664-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-04 EP 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
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2017-07-13 US disclosed
US-9611231-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-04 US disclosed
US-8513431-B2 Method for preparing 5-haloalkyl-4, 5-dihydroisoxazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-20 US disclosed
US-20130165663-A9 METHOD FOR PREPARING 5-HALOALKYL-4, 5-DIHYDROISOXAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 US disclosed
US-20120277442-A1 METHOD FOR PREPARING 5-HALOALKYL-4, 5-DIHYDROISOXAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-01 US disclosed
US-8217180-B2 Method for preparing 5-haloalkyl-4,5-dihydroisoxazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-10 US disclosed
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-01-13 US disclosed
EP-2260016-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
US-20100249424-A1 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E.I.DUPONT DE NEMOURS AND COMPANY (US) 2010-09-30 US disclosed
EP-2176244-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-04-21 EP 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-2009025983-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-26 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 (8 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 4164/4885GAA 4374/4885LMNA 2654/4885
US-20130165663-A9 METHOD FOR PREPARING 5-HALOALKYL-4, 5-DIHYDROISOXAZOLE DERIVATIVES PRDX2, PRXL2A, PRDX1 PDK2 1813/4885GAA 4401/4885LMNA 2197/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885GAA 4374/4885LMNA 2654/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885GAA 4374/4885LMNA 2654/4885
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885GAA 4374/4885LMNA 2654/4885
US-20100249424-A1 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES PRDX2, PRXL2A, PRDX1 PDK2 1813/4885GAA 4401/4885LMNA 2197/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 PDK2 4164/4885GAA 4374/4885LMNA 2654/4885
US-20120277442-A1 METHOD FOR PREPARING 5-HALOALKYL-4, 5-DIHYDROISOXAZOLE DERIVATIVES PRDX2, PRXL2A, PRDX1 PDK2 1813/4885GAA 4401/4885LMNA 2197/4885

“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.