SCHEMBL16285804

SCHEMBL16285804

NCCC[C@H](N)CC(=O)NN(CC(=O)O)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
ENPEP Q07075 4/20 0.33
CPB2 Q96IY4 1/20 0.33
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL16278956 0.91 ALDH1A1 (0.33) GSRALDH1A1
SCHEMBL16278958 0.91 ALDH1A1 (0.33) GSRALDH1A1
SCHEMBL16285777 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21577901 0.84 GSR (0.33) GSRENPEPCPB2ALDH1A1
SCHEMBL11880670 0.84 GSR (0.33) GSRENPEPCPB2ALDH1A1
SCHEMBL16278935 0.84 GSR (0.33) GSRENPEPCPB2ALDH1A1
SCHEMBL16285772 0.80 GSR (0.39) GSRENPEPCPB2LMNATHRB
SCHEMBL16285774 0.80 CPB2 (0.33) CPB2CYP1A2ALDH1A1
SCHEMBL159650 0.74 GSR (0.46) GSRENPEPCPB2GABRR3GABRP
SCHEMBL60354 0.74 GSR (0.46) GSRENPEPCPB2GABRR3GABRP

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-9371274-B2 Compound having read-through activity THE UNIVERSITY OF TOKYO (JP) 2016-06-21 US disclosed
US-9371274-B2 Compound having read-through activity THE UNIVERSITY OF TOKYO (JP) 2016-06-21 US disclosed
US-20140364642-A1 COMPOUND HAVING READ-THROUGH ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2014-12-11 US disclosed
US-20140364642-A1 COMPOUND HAVING READ-THROUGH ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2014-12-11 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-20140364642-A1 COMPOUND HAVING READ-THROUGH ACTIVITY UPF1, NUDT21, GBA2 GSR 4564/4885ENPEP 1780/4885CPB2 2519/4885

“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.