SCHEMBL841322

SCHEMBL841322

CCC[C@@H]([C@H](OC(C)=O)C(N)=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
AOC3 Q16853 1/20 0.36
EPOR P19235 1/20 0.35
MEN1 O00255 2/20 0.35
MMP12 P39900 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC18A3 Q16572 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL14899680 0.83 POLB (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL842533 0.80 TP53 (0.46) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL842534 0.80 TP53 (0.46) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL7763943 0.76 SRR (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4365645 0.74 LMNA (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4543851 0.74 LMNA (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL9328887 0.71 AOC3 (0.45) ALDH1A1LMNAPOLBKMT2AAOC3
SCHEMBL4185156 0.71 MEN1 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL9331288 0.70 MEN1 (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL842267 0.70 TP53 (0.48) POLBKMT2AMEN1SLC18A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US claimed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 WO claimed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US claimed
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US disclosed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US disclosed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 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-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 ALDH1A1 799/4885LMNA 1948/4885POLB 1745/4885

“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.