SCHEMBL3596918

SCHEMBL3596918

O=C(Nc1cccc(F)c1F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
JAK2 O60674 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KLK7 P49862 1/20 0.50
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PARP14 Q460N5 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CES2 O00748 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1576313 0.85 PDK1 (0.67) TP53PDK1PDK2PDK3PDK4
SCHEMBL6367216 0.82 SMN1; SMN2 (0.56) TP53PDK1PDK2PDK3PDK4
SCHEMBL22262468 0.82 MAPT (0.48) TP53PDK1PDK2PDK3PDK4
SCHEMBL20051277 0.82 HDAC1 (0.51) TP53PDK1PDK2PDK3PDK4
SCHEMBL29659883 0.82 MAPT (0.48) TP53PDK1PDK2PDK3PDK4
SCHEMBL14764250 0.82 HTT (0.48) TP53PDK1PDK2PDK3PDK4
SCHEMBL10625596 0.79 KMT2A (0.52) TP53PDK1PDK2PDK3PDK4
SCHEMBL2089517 0.79 KMT2A (0.52) TP53HTTRAB9ANPC1SMN1; SMN2
SCHEMBL2089515 0.79 RAB9A (0.50) TP53MAPTHTTRAB9ANPC1
SCHEMBL6367208 0.78 PDK1 (0.48) TP53PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA TP53 4793/4885PDK1 514/4885PDK2 1940/4885

“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.