SCHEMBL8307745

SCHEMBL8307745

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.60
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSS P25774 5/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
AIMP2 Q13155 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL19853291 1.00 CTSK (0.60) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL22591021 1.00 CTSK (0.60) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL1706174 0.88 MAPK1 (0.55) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL1706172 0.88 MAPK1 (0.55) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL12535753 0.88 MAPK1 (0.55) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL3741937 0.86 CTSK (0.50) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL7352660 0.86 MAPK1 (0.54) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL10076126 0.86 CTSK (0.50) CTSKMAPK1KMT2AUSP2SMN1; SMN2
SCHEMBL6464254 0.85 CTSK (0.49) CTSKMAPK1ALDH1A1LMNAMEN1
SCHEMBL25177957 0.84 CTSK (0.48) CTSKMAPK1KMT2AUSP2SMN1; SMN2

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 5 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
WO-2018027021-A1 SYNTHESIS OF (S)-2-AMINO-4-METHYL-1-((R)-2-METHYLOXIRANE-2-YL)-PENTAN-1-ONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AMGEN INC. (US) 2018-02-08 WO disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 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 (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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CTSK 8/4885MAPK1 3866/4885ALDH1A1 1109/4885
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 CTSK 1375/4885MAPK1 1051/4885ALDH1A1 800/4885

“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.