SCHEMBL4303348

SCHEMBL4303348

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
ACLY P53396 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 4/20 0.32
PPARA Q07869 3/20 0.32
CPA1 P15085 1/20 0.31
TBXAS1 P24557 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TTR P02766 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 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
SCHEMBL17936197 0.82 MEN1 (0.39) HIF1AMEN1LMNABLMHBB
SCHEMBL4289303 0.77 HIF1A (0.40) HIF1AMEN1LMNABLMHBB
SCHEMBL2124559 0.76 HIF1A (0.37) HIF1AMEN1LMNABLMHBB
SCHEMBL320771 0.74 ACLY (0.54) HIF1AACLYACACBACACAALDH1A1
SCHEMBL4289332 0.74 MEN1 (0.41) HIF1AMEN1LMNABLMHBB
SCHEMBL28091569 0.74 CYP4F2 (0.51) HIF1AMEN1LMNABLMHBB
SCHEMBL16177524 0.73
SCHEMBL678569 0.72
SCHEMBL23927709 0.70 PPARA (0.44) ACLYACACBACACATDP1TSHR
SCHEMBL27472781 0.70 ACLY (0.38) ACLYACACBACACAPPARACHRM1

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 HIF1A 2701/4885MEN1 3115/4885LMNA 1848/4885
US-20090264676-A1 Amino acids and catalytic preparatory methods DNPEP, PREP, ENPEP HIF1A 3273/4885MEN1 3220/4885LMNA 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.