SCHEMBL5016350

SCHEMBL5016350

CC(C(=O)O)C(=O)NCc1cc(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.40
CHRM4 P08173 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
KMT2A Q03164 1/20 0.36
SLC1A2 P43004 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34

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
SCHEMBL5022533 0.82 ALDH1A1 (0.42) CHRM4ROCK2ROCK1CARM1PRMT6
SCHEMBL5481957 0.79 CHRM4 (0.45) RIPK1CHRM4ROCK2ROCK1FPR3
SCHEMBL1562512 0.78 KMT2A (0.46) KMT2AERCC1ERCC4
SCHEMBL29788838 0.78 RIPK1 (0.46) RIPK1CHRM4ROCK2ROCK1FPR3
SCHEMBL28170740 0.75 RIPK1 (0.46) RIPK1CHRM4ROCK2ROCK1FPR3
SCHEMBL17882240 0.74 RIPK1 (0.54) RIPK1CHRM4ROCK2ROCK1FPR3
SCHEMBL29912695 0.74 RIPK1 (0.54) RIPK1CHRM4ROCK2ROCK1FPR3
SCHEMBL28170731 0.73 HPGD (0.44) RIPK1CHRM4
SCHEMBL5016313 0.72 MAPK1 (0.60) KMT2A
SCHEMBL17882386 0.71 RIPK1 (0.47) RIPK1CHRM4ROCK2ROCK1FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RIPK1 1978/4885CHRM4 1445/4885ROCK2 3058/4885

“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.