SCHEMBL869874

SCHEMBL869874

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.37
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PDK2 Q15119 6/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.34
BDKRB1 P46663 1/20 0.33
RUVBL1 Q9Y265 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CNR1 P21554 1/20 0.32
SDHB P21912 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 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
SCHEMBL870666 0.94 CFTR (0.34) CFTRLMNAGAAPDK2MAPT
SCHEMBL10072323 0.94 CFTR (0.34) CFTRLMNAGAAPDK2MAPT
SCHEMBL980171 0.94 PDK2 (0.39) CFTRLMNAGAAPDK2MAPT
SCHEMBL870037 0.90 PDK2 (0.43) LMNAGAAPDK2MAPTKDM4E
SCHEMBL872236 0.89 RXRA (0.34) PDK2KDM4EP2RX1P2RX3P2RX4
SCHEMBL871262 0.89 PDK2 (0.40) LMNAGAAPDK2MAPTKDM4E
SCHEMBL869547 0.89 PDK2 (0.42) LMNAGAAPDK2MAPTKDM4E
SCHEMBL3115119 0.87 MEN1 (0.36) LMNARUVBL1P2RX1P2RX3P2RX4
SCHEMBL871063 0.87 PDK2 (0.40) CFTRLMNAGAAPDK2MAPT
SCHEMBL870673 0.86 CA1 (0.34) CFTRLMNAGAAPDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20160376242-A9 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2016-12-29 US disclosed
EP-2706053-A1 Method for preparing 2-trifluoromethyl ketones E. I. du Pont de Nemours and Company (US) 2014-03-12 EP disclosed
US-8546618-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-01 US disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 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
WO-2009126668-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-15 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 (7 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 CFTR 1899/4885LMNA 2654/4885GAA 4374/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CFTR 1899/4885LMNA 2654/4885GAA 4374/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CFTR 1899/4885LMNA 2654/4885GAA 4374/4885
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CFTR 1899/4885LMNA 2654/4885GAA 4374/4885
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 CFTR 1430/4885LMNA 1737/4885GAA 2228/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CFTR 1899/4885LMNA 2654/4885GAA 4374/4885
US-20160376242-A9 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CFTR 1899/4885LMNA 2654/4885GAA 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.