SCHEMBL4289332

SCHEMBL4289332

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL30855502 0.78 ALDH1A1 (0.31) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL4289303 0.78 HIF1A (0.40) MEN1KMT2ALMNABLMHBB
SCHEMBL9177461 0.77 ALDH1A1 (0.41) MEN1KMT2AHIF1AALDH1A1TDP1
SCHEMBL4303348 0.74 HIF1A (0.44) MEN1KMT2ALMNABLMHBB
SCHEMBL9181629 0.72 CYP4F2 (0.47) MEN1KMT2AHIF1AALDH1A1TDP1
SCHEMBL9177295 0.72 CYP4F2 (0.42) MEN1KMT2AHIF1AALDH1A1TDP1
SCHEMBL580695 0.72 ALDH1A1 (0.38) MEN1KMT2ALMNAHIF1AALDH1A1
SCHEMBL9808438 0.71 ALDH1A1 (0.42) MEN1KMT2ALMNABLMHBB
SCHEMBL173322 0.71 FFAR3 (0.41) MEN1KMT2AHIF1AALDH1A1TDP1
SCHEMBL9560658 0.70 MEN1 (0.41) MEN1KMT2ALMNABLMALDH1A1

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 3115/4885KMT2A 2241/4885LMNA 1848/4885
US-20090264676-A1 Amino acids and catalytic preparatory methods DNPEP, PREP, ENPEP MEN1 3220/4885KMT2A 2133/4885LMNA 975/4885

“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.