SCHEMBL16689236

SCHEMBL16689236

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
KISS1R Q969F8 4/20 0.35
MAPT P10636 1/20 0.35
FOLH1 Q04609 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
CACNA1B Q00975 2/20 0.33
TGFBR1 P36897 1/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 2/20 0.32
RNPEP Q9H4A4 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
SCHEMBL25964498 1.00 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2ATSHR
SCHEMBL14393166 0.84 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AKISS1R
SCHEMBL23616214 0.84 TGFBR1 (0.32) TSHRTGFBR1
SCHEMBL25771654 0.83 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AKISS1R
SCHEMBL14771687 0.82 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2ATSHR
SCHEMBL17629512 0.80 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2ATSHR
SCHEMBL20210924 0.80 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2ATSHR
SCHEMBL24870953 0.78 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL18973380 0.78 ALDH1A1 (0.40) ALDH1A1MEN1LMNAKMT2AKISS1R
SCHEMBL12214818 0.78 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AKISS1R

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-20160215016-A1 SYNTHESIS OF PEPTIDE EPOXY KETONES SANDOZ GMBH (AT) 2016-07-28 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

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-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND HSD17B7, CYP51A1, AKR1B10 ALDH1A1 331/4885MEN1 2492/4885LMNA 3031/4885
US-20160215016-A1 SYNTHESIS OF PEPTIDE EPOXY KETONES VIP, PTMS, EPOR ALDH1A1 3590/4885MEN1 1897/4885LMNA 2576/4885

“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.