SCHEMBL3600530

SCHEMBL3600530

CC(=O)Nc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.51
JAK2 O60674 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
KLK7 P49862 1/20 0.51
TSHR P16473 2/20 0.50
PDK1 Q15118 7/20 0.49
PDK2 Q15119 7/20 0.49
PDK3 Q15120 7/20 0.49
PDK4 Q16654 7/20 0.49
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL19451109 0.91 PARP14 (0.56) L3MBTL1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL14728026 0.87 CETP (0.64) L3MBTL1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6689158 0.83 ALDH1A1 (0.74) ALDH1A1HPGDHTTSMN1; SMN2MAPK1
SCHEMBL943096 0.81 PDK1 (0.71) L3MBTL1ALDH1A1HPGDHTTJAK2
SCHEMBL11599081 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL914296 0.81 PDK1 (0.70) ALDH1A1HPGDHTTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL28203570 0.79 PDK1 (0.68) ALDH1A1HPGDHTTSMN1; SMN2MAPK1
SCHEMBL18158146 0.79 L3MBTL1 (0.49) L3MBTL1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11599074 0.79 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL7299817 0.78 GAA (0.56) ALDH1A1HTTJAK2TP53MAPT

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 L3MBTL1 4420/4885ALDH1A1 3405/4885HPGD 182/4885

“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.