SCHEMBL5409661

SCHEMBL5409661

CC(C)(C)OC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KCNN4 O15554 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
AKT1 P31749 2/20 0.41
MAPK10 P53779 1/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL1951583 0.83 CA12 (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL2953752 0.83 CA12 (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1951666 0.83 CA12 (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL27791882 0.82 KMT2A (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3009386 0.80 CYP1A2 (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL27956303 0.79 KMT2A (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL27159384 0.79 CYP1A2 (0.44) MEN1NPC1GAARAB9AKMT2A
SCHEMBL27159381 0.79 CYP1A2 (0.44) MEN1NPC1GAARAB9AKMT2A
SCHEMBL13099832 0.78 KCNN4 (0.44) MEN1NPC1GAARAB9AKMT2A
SCHEMBL7319974 0.78 CA12 (0.43) MEN1NPC1GAARAB9AKMT2A

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
CN-1533400-A Probes, system and methods for drug discovery ����˹̩����ҩ��˾ 2004-09-29 CN 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 MEN1 1713/4885NPC1 925/4885GAA 1239/4885

“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.