SCHEMBL1675868

SCHEMBL1675868

COC(=O)C(F)(F)CNC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
EPHX1 P07099 1/20 0.34
DPP4 P27487 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL1559642 0.85 KDM4E (0.45) EPHX2NPSR1PDK1PDK2PDK3
SCHEMBL1559446 0.83 KDM4E (0.47) EPHX2NPSR1PDK1PDK2PDK3
SCHEMBL1560653 0.81 KDM4E (0.42) SMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL3666819 0.80 EPHX2 (0.41) EPHX2NPSR1PDK1PDK2PDK3
SCHEMBL1560290 0.79 EPHX2 (0.40) EPHX2NPSR1KDM4EPOLBDPP4
Hydrochloric Acid SCHEMBL1458776 0.79 EPHX2 (0.40) EPHX2NPSR1PDK1PDK2PDK3
SCHEMBL29260142 0.77 KDM4E (0.38) EPHX2KDM4EPOLBALDH1A1
SCHEMBL3546758 0.77 EPHX2 (0.39) EPHX2NPSR1KDM4EPOLBEPHX1
SCHEMBL1675827 0.73 KDM4E (0.44) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1675855 0.72 KDM4E (0.46) EPHX2NPSR1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US claimed
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
CN-103122001-A Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
EP-2197442-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-8202990-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-19 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
CN-101917995-A POLO-like kinase inhibitors TAKEDA PHARMACEUTICAL 2010-12-15 CN disclosed
US-20100222575-A1 POLO-LIKE KINASE INHIBITORS Zhe, Nie (US) 2010-09-02 US disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
EP-2197442-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042806-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (4 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-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK EPHX2 3107/4885NPSR1 4721/4885PDK1 335/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK EPHX2 3107/4885NPSR1 4721/4885PDK1 335/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK EPHX2 3107/4885NPSR1 4721/4885PDK1 335/4885
US-20100222575-A1 POLO-LIKE KINASE INHIBITORS POLK, DCK, PLK1 EPHX2 3908/4885NPSR1 4758/4885PDK1 785/4885

“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.