SCHEMBL6502501

SCHEMBL6502501

CC(C)(C)OC(=O)Nc1ccccc1CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.42
SLC16A3 O15427 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL10785428 0.96 SLC16A3 (0.43) LMNAPOLBCNR2SLC16A3HDAC3
SCHEMBL6802648 0.92 LMNA (0.45) LMNAPOLBCNR2BRD9NR1H4
SCHEMBL10788317 0.89 LMNA (0.43) LMNAPOLBCNR2SLC16A3HDAC3
SCHEMBL27660942 0.88 NQO2 (0.40) LMNAPOLBCNR2HDAC3HDAC4
SCHEMBL7236704 0.88 POLB (0.42) LMNAPOLBCNR2SLC16A3HDAC3
SCHEMBL10789391 0.87 MTNR1A (0.43) LMNAPOLBCNR2SLC16A3HDAC3
SCHEMBL4691306 0.86 TRPV1 (0.46) LMNAPOLBCNR2SLC16A3BRD9
SCHEMBL14333034 0.85 TDP1 (0.44) LMNAPOLBCNR2SLC16A3BRD9
SCHEMBL13980666 0.85 AKT1 (0.44) LMNAPOLBCNR2SLC16A3BRD9
SCHEMBL27718803 0.83 LMNA (0.45) LMNAPOLBCNR2HDAC3HDAC4

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 7 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-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
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
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-4658013-A CONTAINING ALANINE, PHENYLALANINE AND/OR TYROSINE OR METHIONINE STERLING DRUG INC. (US) 1987-04-14 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 (3 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 LMNA 1737/4885POLB 3078/4885CNR2 56/4885
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 LMNA 1982/4885POLB 3035/4885CNR2 58/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA LMNA 1727/4885POLB 2413/4885CNR2 1479/4885

“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.