SCHEMBL5016372

SCHEMBL5016372

C=CCC(C(=O)O)C(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.37
CCR2 P41597 2/20 0.36
MMP8 P22894 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TACR1 P25103 1/20 0.35
AURKA O14965 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5017863 0.80 PDE10A (0.40) METAP2MMP8
SCHEMBL5023271 0.78 PSEN1 (0.42) MMP8
SCHEMBL5023233 0.77 MMP8 (0.60) MMP8ALDH1A1
SCHEMBL5026355 0.76 METAP2 (0.41) METAP2SCN5ASCN9ATACR1AURKA
SCHEMBL1562512 0.75 KMT2A (0.46) METAP2CYP3A4ALDH1A1TSHRCASP1
SCHEMBL1561917 0.73 METAP2 (0.38) METAP2MMP8SCN5ASCN9AAURKA
SCHEMBL5017857 0.73 MAPK1 (0.43) METAP2CYP3A4ALDH1A1TSHRCASP1
SCHEMBL8310339 0.73 ERCC1 (0.56) METAP2AURKACYP3A4ALDH1A1TSHR
SCHEMBL28057946 0.73 TGM2 (0.54) METAP2AURKAALDH1A1TSHREGLN1
SCHEMBL5022524 0.72 ROCK2 (0.40) METAP2SCN9ACYP3A4ALDH1A1TSHR

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 METAP2 309/4885CCR2 4398/4885MMP8 4774/4885

“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.