SCHEMBL3903232

SCHEMBL3903232

CCOC(=O)[C@](C)(F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 3/20 0.39
PIN1 Q13526 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL3906498 1.00 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL3903236 1.00 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL31423716 1.00 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL4427462 0.88 MMP8 (0.47) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL8160331 0.82 ALDH1A1 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL15109846 0.80 MMP8 (0.42) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL14403317 0.80 ALOX15 (0.46) MMP8CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL14403192 0.80 ALOX15 (0.46) MMP8CYP4F2CYP4A11ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL10523981 0.79 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1POLBNPSR1
SCHEMBL3372776 0.79 ALDH1A1 (0.42) MMP8CYP4F2CYP4A11ALDH1A1POLB

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-2018368-B1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-12-05 EP disclosed
EP-2018368-A1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-01-28 EP disclosed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
WO-2007110335-A1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US 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-20070225273-A1 Malonamide derivatives ACE, APP, NAAA MMP8 4825/4885CYP4F2 1024/4885CYP4A11 440/4885

“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.