SCHEMBL4182663

SCHEMBL4182663

FC(F)(F)COc1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GPR3 P46089 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 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
SCHEMBL22621570 0.87 CCR1 (0.48) MAPTALDH1A1EPHX2L3MBTL1KDM4E
SCHEMBL12093582 0.87 LOX (0.46) MAPTALDH1A1GPR3CYP2C9CYP17A1
SCHEMBL24305794 0.87 PDK2 (0.38) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL24305795 0.83 EPHX2 (0.41) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL17253049 0.79 L3MBTL1 (0.42) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL3359088 0.79 HRH4 (0.40) MAPTALDH1A1EPHX2L3MBTL1KDM4E
SCHEMBL16033779 0.79 ALDH1A1 (0.44) MAPTALDH1A1GPR3CYP2C9CYP17A1
SCHEMBL10174370 0.79 RXRA (0.44) MAPTALDH1A1EPHX2L3MBTL1KDM4E
SCHEMBL16333809 0.79 MAPT (0.44) MAPTALDH1A1GPR3CYP2C9CYP17A1
SCHEMBL16054187 0.79 NOS3 (0.53) MAPTALDH1A1GPR3CYP2C9CYP17A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP claimed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US claimed
EP-1642899-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2006-04-05 EP claimed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 US claimed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
CN-101328152-B Piperazidine compound and pyridine compound KOWA CO 2011-06-08 CN disclosed
EP-1642899-A4 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2009-02-25 EP disclosed
CN-101328152-A Piperazidine compound and pyridine compound KOWA CO (JP) 2008-12-24 CN disclosed
CN-100404529-C 2, 4-bis (trifluoroethoxy) pyridine compound and medicine containing the same KOWA CO (JP) 2008-07-23 CN disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
CN-1816542-A 2, 4-bis (trifluoroethoxy) pyridine compound and medicine containing the same KOWA CO (JP) 2006-08-09 CN disclosed
EP-1642899-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2006-04-05 EP disclosed
EP-1642899-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2006-04-05 EP disclosed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 US disclosed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 US disclosed
WO-2005003119-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO., LTD. (JP) 2005-01-13 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 (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-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound ACAT2, ACAT1, CYP7A1 MAPT 129/4885ALDH1A1 586/4885GPR3 4296/4885

“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.