SCHEMBL5016313

SCHEMBL5016313

CC(C(=O)O)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
HPGD P15428 2/20 0.59
GAA P10253 2/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.52
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL5016485 0.85 KMT2A (0.62) HPGDGAAKMT2AANPEPLMNA
SCHEMBL5023170 0.84 KMT2A (0.73) KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL12375175 0.84 HPGD (0.65) MAPK1HPGDGAAKMT2AL3MBTL1
SCHEMBL5023255 0.83 TSHR (0.60) HPGDGAAKMT2ATSHRLMNA
SCHEMBL1562512 0.83 KMT2A (0.46) MAPK1HPGDGAAKMT2ATSHR
SCHEMBL5016382 0.81 ANPEP (0.56) MAPK1KMT2AANPEPRAB9APOLB
SCHEMBL10692282 0.81 CARM1 (0.62) MAPK1HPGDGAAL3MBTL1TSHR
SCHEMBL5017848 0.81 ALDH1A1 (0.58) HPGDGAAKMT2AANPEPLMNA
SCHEMBL25445337 0.80 HPGD (0.59) MAPK1HPGDGAAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL5967401 0.80 CARM1 (0.64) MAPK1HPGDGAAL3MBTL1TSHR

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 MAPK1 1824/4885HPGD 2885/4885GAA 114/4885

“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.