SCHEMBL8080979

SCHEMBL8080979

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.62
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
PSEN1 P49768 6/20 0.55
PSEN2 P49810 6/20 0.55
APH1B Q8WW43 6/20 0.55
NCSTN Q92542 6/20 0.55
APH1A Q96BI3 6/20 0.55
PSENEN Q9NZ42 6/20 0.55
KLK5 Q9Y337 1/20 0.55
CAPN1 P07384 1/20 0.55
CTSD P07339 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
SCHEMBL30485406 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL28377172 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL28373438 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL84538 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL28372334 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL30485379 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL28372331 1.00 REN (0.62) RENCTSSCTSKPSEN1PSEN2
SCHEMBL17452195 0.94 CTSS (0.63) RENCTSSCTSKPSEN1PSEN2
SCHEMBL8073093 0.94 REN (0.68) RENCTSSCTSKPSEN1PSEN2
SCHEMBL18171935 0.94 REN (0.68) RENCTSSCTSKPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298056-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-18 US claimed
WO-2016170544-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO claimed
US-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide MSN LABORATORIES PRIVATE LIMITED (IN) 2020-01-28 US disclosed
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-20180298056-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-18 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-2016185450-A1 AN IMPROVED PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2016-11-24 WO disclosed
WO-2016170544-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed
WO-2009045497-A1 CRYSTALLINE PEPTIDE EPOXY KETONE PROTEASE INHIBITORS AND THE SYNTHESIS OF AMINO ACID KETO-EPOXIDES PROTEOLIX, INC. (US) 2009-04-09 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 (4 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-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide OPRL1, PNMT, HTR1A REN 853/4885CTSS 3195/4885CTSK 4479/4885
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 REN 139/4885CTSS 68/4885CTSK 365/4885
US-20180298056-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE OPRL1, OPRM1, ADRA1D REN 734/4885CTSS 3324/4885CTSK 4506/4885
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 REN 129/4885CTSS 108/4885CTSK 467/4885

“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.