SCHEMBL4245530

SCHEMBL4245530

NC(=O)C(C(N)=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
KCNN4 O15554 4/20 0.44
CNR2 P34972 2/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2402196 0.90 GAA (0.53) GAACES2CES1KCNN4CNR2
SCHEMBL6774538 0.83 CES2 (0.61) GAACES2CES1KCNN4CNR2
SCHEMBL11214243 0.83 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL27602661 0.83 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL1274051 0.82 CES2 (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL1822227 0.81 GAA (0.49) GAACES2CES1KCNN4CNR2
SCHEMBL7288270 0.81 GAA (0.49) GAACES2CES1KCNN4CNR2
SCHEMBL7470109 0.81 GAA (0.49) GAACES2CES1KCNN4CNR2
SCHEMBL14270923 0.80 CES2 (0.48) GAACES2CES1CNR2ALDH1A1
SCHEMBL17968495 0.78 GAA (0.58) GAACES2CES1KCNN4CNR2

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-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP claimed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO claimed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US claimed
EP-1761268-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-07-08 EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 EP disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 GAA 1146/4885CES2 4799/4885CES1 3676/4885

“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.