SCHEMBL10329432

SCHEMBL10329432

CC(=O)Nc1ccc(OC(=O)CCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
OPRK1 P41145 1/20 0.48
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 2/20 0.43
NAMPT P43490 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL637737 0.84 GAA (0.52) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL13306472 0.80 CA12 (0.63) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL4121702 0.77 OPRK1 (0.62) ALDH1A1MAPTKDM4EGLAHPGD
SCHEMBL10329430 0.77 OPRK1 (0.62) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL27698153 0.77 ALDH1A1 (0.53) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL12657551 0.77 KMT2A (0.45) ALDH1A1MAPTKMT2AMEN1OPRK1
SCHEMBL27474162 0.77 PPARG (0.56) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL580319 0.77 NAMPT (0.57) CA1CA2ALDH1A1MAPTGLA
SCHEMBL11284305 0.76 OPRK1 (0.61) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL8223629 0.76 KMT2A (0.60) CA1CA2ALDH1A1MAPTKDM4E

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-8222296-B2 Conjugates comprising a GABA- or glycine compound, pharmaceutical compositions and combinations thereof and their use in treating CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-07-17 US disclosed
US-20090304584-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AND THEIR USE IN TREATING CNS DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-12-10 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-20090304584-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AND THEIR USE IN TREATING CNS DISORDERS GABBR1, GABBR2, GABRG3 CA1 662/4885CA2 1637/4885ALDH1A1 693/4885

“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.