SCHEMBL4287818

SCHEMBL4287818

CC[C@H](CCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC1A1 P43005 3/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37

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
SCHEMBL4287823 1.00 CA2 (0.52) CA2MAPK1MEN1GAAKMT2A
SCHEMBL28625289 0.88 CA2 (0.52) CA2MAPK1MEN1GAAKMT2A
SCHEMBL17079748 0.84 MEN1 (0.49) CA2MAPK1MEN1GAAKMT2A
SCHEMBL8882482 0.83 GRIK1 (0.49) CA2MAPK1MEN1GAAKMT2A
SCHEMBL12268130 0.81 CA2 (0.45) CA2MAPK1MEN1GAAKMT2A
SCHEMBL4755353 0.81 CA2 (0.45) CA2MAPK1MEN1GAAKMT2A
SCHEMBL8208751 0.81 FOLH1 (0.50) MEN1GAAKMT2ASLC1A1FOLH1
SCHEMBL23363788 0.80 MEN1 (0.42) CA2MEN1GAAKMT2ASLC1A1
SCHEMBL8470938 0.80 MEN1 (0.41) CA2MAPK1MEN1GAAKMT2A
SCHEMBL15164249 0.80 MEN1 (0.41) MEN1GAAKMT2ASLC1A1HDAC1

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 CA2 2878/4885MAPK1 4782/4885MEN1 3115/4885
US-20090264676-A1 Amino acids and catalytic preparatory methods DNPEP, PREP, ENPEP CA2 2794/4885MAPK1 4540/4885MEN1 3220/4885

“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.