SCHEMBL15912652

SCHEMBL15912652

[2H]COCCC(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
RECQL P46063 1/20 0.63
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
EPHX2 P34913 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2520897 0.91 TSHR (0.63) TSHRRECQLGAAKMT2AMEN1
SCHEMBL8533502 0.89 TSHR (0.69) TSHRRECQLGAAKMT2AMEN1
SCHEMBL17550886 0.79 GAA (0.72) TSHRRECQLGAAKMT2AMEN1
SCHEMBL12292116 0.79 TSHR (0.65) TSHRRECQLGAAKMT2AMEN1
SCHEMBL15850415 0.79 TSHR (0.69) TSHRRECQLGAAKMT2AMEN1
SCHEMBL26576519 0.77 EPHX2 (0.61) TSHRRECQLGAAKMT2AMEN1
SCHEMBL8464732 0.77 MEN1 (0.76) TSHRRECQLGAAKMT2AMEN1
SCHEMBL26576518 0.77 EPHX2 (0.61) TSHRRECQLGAAKMT2AMEN1
SCHEMBL14544164 0.76 GAA (0.72) TSHRRECQLGAAKMT2AMEN1
SCHEMBL770934 0.76 CYP3A4 (0.87) TSHRRECQLGAAKMT2AMEN1

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-9108902-B2 Deuterated 2-amino-3-hydroxypropanoic acid derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-08-07 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-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES GRIN3A, GRIK5, GRIN2A TSHR 4060/4885RECQL 4542/4885GAA 3252/4885

“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.