SCHEMBL2398281

SCHEMBL2398281

CC1C(c2ccccc2)C(=O)ON1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
ALDH1A1 P00352 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
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
GSK3B P49841 3/20 0.36
GSK3A P49840 2/20 0.36
MGLL Q99685 1/20 0.36
ACHE P22303 1/20 0.36
PRTN3 P24158 1/20 0.36
POLB P06746 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
SCHEMBL2398278 1.00 ELANE (0.40) ELANEALDH1A1CTSGF2PLG
SCHEMBL2398275 1.00 ELANE (0.40) ELANEALDH1A1CTSGF2PLG
SCHEMBL787153 0.84 ALDH1A1 (0.46) ELANEALDH1A1CTSGF2PLG
SCHEMBL787154 0.84 ALDH1A1 (0.46) ELANEALDH1A1CTSGF2PLG
SCHEMBL787155 0.84 ALDH1A1 (0.46) ELANEALDH1A1CTSGF2PLG
SCHEMBL787950 0.82 ELANE (0.41) ELANEALDH1A1CTSGF2PLG
SCHEMBL787952 0.82 ELANE (0.41) ELANEALDH1A1CTSGF2PLG
SCHEMBL787951 0.82 ELANE (0.41) ELANEALDH1A1CTSGF2PLG
SCHEMBL787369 0.79 ELANE (0.39) ELANEALDH1A1CTSGF2PLG
SCHEMBL787368 0.79 ELANE (0.39) ELANEALDH1A1CTSGF2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO ELANE 2598/4885ALDH1A1 472/4885CTSG 4145/4885

“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.