SCHEMBL4382740

SCHEMBL4382740

CCOC(=O)CC(C#N)(C[C@H](C)CC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.35
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4377134 0.89 MMP8 (0.36) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL4380430 0.89 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL2638021 0.88 MMP8 (0.43) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL4383809 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL14016347 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL15451360 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL28464690 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL2725840 0.79 MMP8 (0.41) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL2732715 0.78 TDP1 (0.37) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL2410161 0.76 MMP8 (0.49) MEN1KMT2AALDH1A1TSHRMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP claimed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO claimed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US claimed
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (2 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A MEN1 2756/4885KMT2A 3394/4885ALDH1A1 2226/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A MEN1 2756/4885KMT2A 3394/4885ALDH1A1 2226/4885

“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.