SCHEMBL523988

SCHEMBL523988

N[C@H](C=O)Cc1ccc(O)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.44
THRA P10827 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
PPARG P37231 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
ABCB11 O95342 1/20 0.44
F2 P00734 1/20 0.44
PCNA P12004 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
ADORA1 P30542 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL17479954 1.00 THRB (0.44) THRBTHRAMEN1KMT2ALMNA
SCHEMBL8448236 0.85 MEN1 (0.54) THRBTHRAMEN1KMT2ALMNA
SCHEMBL849961 0.84 ALOX15 (0.59) MEN1KMT2ALMNAPPARGCYP2D6
SCHEMBL11136076 0.84 ALOX15 (0.59) MEN1KMT2ALMNAPPARGCYP2D6
SCHEMBL10062117 0.84 ALOX15 (0.59) MEN1KMT2ALMNAPPARGCYP2D6
SCHEMBL8459499 0.84 THRB (0.52) THRBTHRAMEN1KMT2ALMNA
SCHEMBL12808488 0.82 THRB (0.70) THRBTHRAMEN1KMT2ALMNA
SCHEMBL11981918 0.81 ALDH1A1 (0.45) MEN1KMT2ALMNAPPARGCYP2D6
SCHEMBL6041031 0.81 SIRT5 (0.50) THRBTHRAMEN1KMT2ALMNA
SCHEMBL17771942 0.80 CA2 (0.49) CYP2D6TSHRUSP2HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293512-B2 Polypeptide having activity of aminoacyl-tRNA synthetase and use thereof RIKEN (JP) 2012-10-23 US disclosed
US-20120028330-A1 POLYPEPTIDE HAVING ACTIVITY OF AMINOACYL-tRNA SYNTHETASE AND USE THEREOF RIKEN (JP) 2012-02-02 US disclosed
US-8012739-B2 Methods and compositions for the production of orthogonal tRNA-aminoacyl-tRNA synthetase pairs THE SCRIPPS RESEARCH INSTITUTE (US) 2011-09-06 US disclosed
US-20110190200-A1 GLUCAGON ANALOGS EXHIBITING ENHANCED SOLUBILITY AND STABILITY IN PHYSIOLOGICAL pH BUFFERS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2011-08-04 US disclosed
US-20090227002-A1 Methods and compositions for the production of orthogonal tRNA-aminoacyl tRNA synthetase pairs THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-09-10 US disclosed
US-20090226966-A1 Polypeptide having activity of aminoacyl-tRNA synthetase and use thereof RIKEN (JP) 2009-09-10 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-20110190200-A1 GLUCAGON ANALOGS EXHIBITING ENHANCED SOLUBILITY AND STABILITY IN PHYSIOLOGICAL pH BUFFERS GCG, GCGR, GLP1R THRB 277/4885THRA 358/4885MEN1 2061/4885

“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.