SCHEMBL6715512

SCHEMBL6715512

CC(C)(C)OC(=O)c1c(NCC(=O)O)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.34
EPHX2 P34913 1/20 0.33
GRM6 O15303 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL29202783 0.77 CES2 (0.41) ALDH1A1GRM6NPSR1RIPK1GPR119
SCHEMBL3621497 0.77 ALDH1A1 (0.49) ALDH1A1POLBEPHX2ALPLALPI
SCHEMBL7271573 0.77 CA12 (0.44) ALDH1A1GRM6NR1H2NR1H3ADRA1A
SCHEMBL5778950 0.76 ADRA1A (0.38) ALDH1A1NR1H2NR1H3PKMADRA1A
SCHEMBL17337403 0.73 CES2 (0.37) POLBGRM6NR1H2NR1H3NPSR1
SCHEMBL61257 0.73 KDM4E (0.41) ALDH1A1SMN1; SMN2NPSR1ADRA1AADRA1B
SCHEMBL2207200 0.72 CYP17A1 (0.42) ALDH1A1POLBEPHX2NPC1HTT
SCHEMBL30322424 0.72 CES2 (0.36) GRM6NPC1HTTRAB9ASMN1; SMN2
SCHEMBL26879383 0.72 CES2 (0.36) GRM6NPC1HTTRAB9ASMN1; SMN2
SCHEMBL219602 0.71 ADRA1A (0.55) ALDH1A1POLBNPC1HTTRAB9A

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ALDH1A1 572/4885POLB 4182/4885EPHX2 1713/4885

“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.