SCHEMBL15025844

SCHEMBL15025844

C=C(C)C(=O)[C@@H](C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RNPEP Q9H4A4 3/20 0.36
SLC7A5 Q01650 1/20 0.36
CA2 P00918 1/20 0.33
CA1 P00915 2/20 0.32
KISS1R Q969F8 4/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
ANPEP P15144 2/20 0.31
DNPEP Q9ULA0 1/20 0.31

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
SCHEMBL19472114 1.00 TSHR (0.41) TSHRALDH1A1TDP1RNPEPSLC7A5
SCHEMBL25751406 0.90 TSHR (0.39) TSHRALDH1A1TDP1CA2CA1
SCHEMBL16329147 0.79 ALDH1A1 (0.39) ALDH1A1TDP1RNPEPSLC7A5CA1
SCHEMBL13460878 0.77
SCHEMBL18265596 0.77
SCHEMBL13361506 0.77
SCHEMBL17943255 0.76 SLC7A5 (0.54) TSHRALDH1A1TDP1RNPEPSLC7A5
SCHEMBL13523611 0.76 RNPEP (0.33) TSHRRNPEPSLC7A5ANPEP
SCHEMBL17640577 0.76 TSHR (0.39) TSHRALDH1A1TDP1RNPEPSLC7A5
SCHEMBL8088103 0.76 SLC7A5 (0.54) TSHRALDH1A1TDP1RNPEPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof AMGEN INC. 2023-07-25 US disclosed
US-20230136796-A1 Tripeptide Propylene Oxide Derivative and Preparation Method and Application thereof SHENZHEN JIKANG PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-05-04 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
US-20160215016-A1 SYNTHESIS OF PEPTIDE EPOXY KETONES SANDOZ GMBH (AT) 2016-07-28 US disclosed
US-20160215016-A1 SYNTHESIS OF PEPTIDE EPOXY KETONES SANDOZ GMBH (AT) 2016-07-28 US disclosed
US-20160194354-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB SANDOZ GMBH (AT) 2016-07-07 US disclosed
US-9187442-B2 Method for producing stereoselective epoxyketone compound NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2015-11-17 US disclosed
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-07 US disclosed
US-8921324-B2 Crystalline peptide epoxy ketone protease inhibitors and the synthesis of amino acid keto-epoxides ONYX THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-8921583-B2 Crystalline peptide epoxy ketone protease inhibitors and the synthesis of amino acid keto-epoxides ONYX THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-20130150290-A1 Crystalline Peptide Epoxy Ketone Protease Inhibitors and the Synthesis of Amino Acid Keto-Epoxides ONYX THERAPEUTICS, INC. (US) 2013-06-13 US disclosed
US-20130150289-A1 Crystalline Peptide Epoxy Ketone Protease Inhibitors and the Synthesis of Amino Acid Keto-Epoxides ONYX THERAPEUTICS, INC. (US) 2013-06-13 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 (8 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 TSHR 4199/4885ALDH1A1 2351/4885TDP1 2954/4885
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND HSD17B7, CYP51A1, AKR1B10 TSHR 3180/4885ALDH1A1 331/4885TDP1 4552/4885
US-20160194354-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB PAICS, MANBA, MAN2A1 TSHR 4375/4885ALDH1A1 2822/4885TDP1 3527/4885
US-20130150290-A1 Crystalline Peptide Epoxy Ketone Protease Inhibitors and the Synthesis of Amino Acid Keto-Epoxides PREP, ANPEP, DNPEP TSHR 4054/4885ALDH1A1 3400/4885TDP1 3731/4885
US-20230136796-A1 Tripeptide Propylene Oxide Derivative and Preparation Method and Application thereof PSMB1, PSMB11, PSMB3 TSHR 2251/4885ALDH1A1 3607/4885TDP1 2394/4885
US-20160215016-A1 SYNTHESIS OF PEPTIDE EPOXY KETONES VIP, PTMS, EPOR TSHR 3481/4885ALDH1A1 3590/4885TDP1 4441/4885
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof EPOR, KDM5A, PSMA5 TSHR 4308/4885ALDH1A1 800/4885TDP1 2854/4885
US-20130150289-A1 Crystalline Peptide Epoxy Ketone Protease Inhibitors and the Synthesis of Amino Acid Keto-Epoxides PREP, ANPEP, DNPEP TSHR 4054/4885ALDH1A1 3400/4885TDP1 3731/4885

“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.