SCHEMBL5016382

SCHEMBL5016382

CC(C(=O)O)C(=O)NCc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
KMT2A Q03164 1/20 0.52
SRC P12931 2/20 0.52
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
FOLH1 Q04609 1/20 0.48
MAPK1 P28482 1/20 0.48
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.47
SLC1A1 P43005 2/20 0.47

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
SCHEMBL13797510 0.86 ANPEP (0.60) ANPEPSRCRAB9APOLBMAPK1
SCHEMBL3918273 0.85 ANPEP (0.56) ANPEPSRCRAB9APOLBMMP1
SCHEMBL1562512 0.84 KMT2A (0.46) ANPEPKMT2AMAPK1
SCHEMBL5023071 0.84 KMT2A (0.54) KMT2ATP53
SCHEMBL5023170 0.82 KMT2A (0.73) KMT2A
SCHEMBL5016361 0.82 MLYCD (0.55) KMT2ARAB9A
SCHEMBL5016313 0.81 MAPK1 (0.60) ANPEPKMT2ARAB9APOLBMAPK1
SCHEMBL13609113 0.81 PKM (0.57) ANPEPKMT2ASRCRAB9APOLB
SCHEMBL2750089 0.79 ANPEP (0.53) ANPEPSRCRAB9APOLBMAPK1
SCHEMBL3109722 0.79 SRC (0.61) ANPEPSRCRAB9APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480248-C Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
CN-1745076-A Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-03-08 CN disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP ANPEP 43/4885KMT2A 1285/4885SRC 3365/4885

“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.