SCHEMBL4180423

SCHEMBL4180423

CN(C)C(=O)c1ccc(NCC(C)(O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ FTO Q9C0B1 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ HIF1AN Q9NWT6 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ USP2 O75604 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL4180854 0.80 GAA (0.49) ALDH1A1HPGDHDAC6TSHR
SCHEMBL10184215 0.77 FTO (0.50) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL25124451 0.76 SMN1; SMN2 (0.50) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
Dimethylformamide SCHEMBL4180425 0.75 PDK1 (0.37) SMN1; SMN2HPGDCYP3A4MEN1KMT2A
SCHEMBL13922750 0.75 SMN1; SMN2 (0.48) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL19145242 0.71 SMN1; SMN2 (0.44) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL15124764 0.71 HTT (0.53) SMN1; SMN2ALDH1A1HPGDCSNK2A1RXFP1
SCHEMBL1004649 0.71 ALDH1A1 (0.73) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL19459308 0.70 ALDH1A1 (0.55) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL5013530 0.70 ALDH1A1 (0.55) NR1H4EPHX2SMN1; SMN2ALDH1A1HPGD

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA NR1H4 69/4885EPHX2 3032/4885SMN1; SMN2 4862/4885

“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.

Send feedback