SCHEMBL17629488

SCHEMBL17629488

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCl)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
MMP2 P08253 2/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
MME P08473 2/20 0.54
TMPRSS11D O60235 1/20 0.54
CTRL P40313 1/20 0.54
PSMB5 P28074 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP3A5 P20815 2/20 0.53
CYP3A7 P24462 2/20 0.53
CYP3A43 Q9HB55 2/20 0.53
PSMB9 P28065 2/20 0.53
PSMB11 A5LHX3 1/20 0.53
PSMD11 O00231 1/20 0.53
PSMD12 O00232 1/20 0.53
PSMD14 O00487 1/20 0.53
PSMA7 O14818 1/20 0.53

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
SCHEMBL2633256 1.00 ACE (0.55) ACEMMP2MMP7MMP9MMP12
SCHEMBL17629489 1.00 ACE (0.55) ACEMMP2MMP7MMP9MMP12
SCHEMBL13893311 0.90 BIRC2 (0.54) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL19474595 0.90 BIRC2 (0.54) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL84540 0.90 BIRC2 (0.54) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL13019967 0.90 PSMB5 (0.60) ACEMMP2MMP7MMP9MMP12
SCHEMBL85534 0.90 ACE (0.56) ACEMMP2MMP7MMP9MMP12
SCHEMBL10080727 0.89 PSMB5 (0.52) ACEMMP2MMP7MMP9MMP12
SCHEMBL20873049 0.88 MME (0.64) ACEMMP2MMP7MMP9MMP12
SCHEMBL20873050 0.88 MME (0.64) ACEMMP2MMP7MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329325-B2 Process for the preparation of (S)-4-methyl-N-((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxo-pentan-2-yl) amino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido) pentanamide BIOPHORE INDIA PHARMACEUTICALS PVT. LTD (IN) 2019-06-25 US disclosed
US-20170298093-A1 Process for the Preparation of (S)-4-Methyl-N-((S)-1-(((S)-4-Methyl-1-((R)-2-Methyloxiran-2-YL)-1-OXO Pentan-2-YL) Amino)-1-OXO-3-Phenylpropan-2-YL)-2-((S)-2-(2-Morpholinoacetamido)-4-Phenylbutanamido) Pentanamide BIOPHORE INDIA PHARMACEUTICALS PVT. LTD (IN) 2017-10-19 US disclosed
WO-2016046843-A1 PROCESS FOR THE PREPARATION OF (S)-4-METHYL-N-((S)-1-(((S)-4-METHYL-1-((R)-2-METHYLOXIRAN-2-YL)-1-OXO PENTAN-2-YL) AMINO)-1-OXO-3-PHENYLPROPAN-2-YL)-2-((S)-2-(2-MORPHOLINOACETAMIDO)-4-PHENYLBUTANAMIDO) PENTANAMIDE BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2016-03-31 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 (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-20170298093-A1 Process for the Preparation of (S)-4-Methyl-N-((S)-1-(((S)-4-Methyl-1-((R)-2-Methyloxiran-2-YL)-1-OXO Pentan-2-YL) Amino)-1-OXO-3-Phenylpropan-2-YL)-2-((S)-2-(2-Morpholinoacetamido)-4-Phenylbutanamido) Pentanamide PSMA1, PSMA2, PSMA6 ACE 624/4885MMP2 2236/4885MMP7 2283/4885
US-10329325-B2 Process for the preparation of (S)-4-methyl-N-((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxo-pentan-2-yl) amino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido) pentanamide PSMA1, PSMA2, PSMA3 ACE 632/4885MMP2 2561/4885MMP7 2394/4885

“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.