SCHEMBL787389

SCHEMBL787389

CCC1C(=O)ON(Cc2ccccc2)C1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
CTSG P08311 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
EHMT2 Q96KQ7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
MGLL Q99685 1/20 0.36
PRTN3 P24158 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PRKCA P17252 1/20 0.35

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
SCHEMBL787388 1.00 ELANE (0.38) ELANECTSGF2PLGCMA1
SCHEMBL787387 1.00 ELANE (0.38) ELANECTSGF2PLGCMA1
SCHEMBL787712 0.88 KMT2A (0.39) ELANECTSGF2PLGCMA1
SCHEMBL787711 0.88 KMT2A (0.39) ELANECTSGF2PLGCMA1
SCHEMBL787710 0.88 KMT2A (0.39) ELANECTSGF2PLGCMA1
SCHEMBL787851 0.84 ELANE (0.38) ELANECTSGF2PLGCMA1
SCHEMBL787852 0.84 ELANE (0.38) ELANECTSGF2PLGCMA1
SCHEMBL787850 0.84 ELANE (0.38) ELANECTSGF2PLGCMA1
SCHEMBL787566 0.76 KMT2A (0.43) ELANECTSGF2PLGCMA1
SCHEMBL787564 0.76 KMT2A (0.43) ELANECTSGF2PLGCMA1

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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO ELANE 2598/4885CTSG 4145/4885F2 1718/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO ELANE 2598/4885CTSG 4145/4885F2 1718/4885

“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.