SCHEMBL4290124

SCHEMBL4290124

CC(C)C(CC[N+](=O)[O-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
CPA1 P15085 5/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 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
SCHEMBL15451130 0.78 GABRR1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL3331713 0.78 GABRR1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL30819096 0.77 MEN1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL1426861 0.75 BLM (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL20659550 0.75 MEN1 (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL6231951 0.75 SLC1A3 (0.37) CPA1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL11219301 0.73 MEN1 (0.36) MEN1LMNABLMHBBKMT2A
SCHEMBL19283718 0.72 MEN1 (0.43) MEN1LMNABLMHBBKMT2A
SCHEMBL16140111 0.72 SLC1A3 (0.50) BLMSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4292504 0.71 CA2 (0.52) MEN1LMNABLMHBBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637696-B2 Methods for preparing amides and amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-28 US disclosed
US-20130030210-A1 METHODS FOR PREPARING AMIDES AND AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-31 US disclosed
US-8269039-B2 Amino acids and catalytic preparatory methods WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-20090264676-A1 Amino acids and catalytic preparatory methods WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-22 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-20130030210-A1 METHODS FOR PREPARING AMIDES AND AMINO ACIDS DNPEP, PTMS, QPCT MEN1 3115/4885LMNA 1848/4885BLM 4418/4885
US-20090264676-A1 Amino acids and catalytic preparatory methods DNPEP, PREP, ENPEP MEN1 3220/4885LMNA 975/4885BLM 3569/4885

“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.