SCHEMBL13033293

SCHEMBL13033293

CC(C)(C)OC(=O)Nc1cnc(OCCOCc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
CYP2C9 P11712 1/20 0.42
PTGER1 P34995 1/20 0.42
GRIN2B Q13224 1/20 0.42
PPARG P37231 1/20 0.42
CTSS P25774 1/20 0.41
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HDAC1 Q13547 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL2656239 0.86 PTGER1 (0.47) PPARAL3MBTL1CYP2C9PTGER1GRIN2B
SCHEMBL2644395 0.84 PPARA (0.48) PPARAL3MBTL1CYP2C9PTGER1GRIN2B
SCHEMBL2645197 0.81 GSK3B (0.38) GRIN2BSYKHDAC1
SCHEMBL25257191 0.80 SYK (0.42) L3MBTL1CYP2C9PTGER1SYKMEN1
SCHEMBL29007908 0.76 TMEM97 (0.40) GRIN2BHDAC1POLB
SCHEMBL12579812 0.75 GCK (0.46) CYP2C9PTGER1GRIN2BMEN1NPC1
SCHEMBL6078486 0.75 SMN1; SMN2 (0.41) CYP2C9PTGER1GAAKMT2ALMNA
SCHEMBL10515590 0.74 PTGER1 (0.54) PPARACYP2C9PTGER1GRIN2BCTSS
SCHEMBL32681571 0.74 SIRT6 (0.42) GRIN2BMEN1NPC1RAB9AKMT2A
SCHEMBL3509640 0.73 P4HTM (0.51) GRIN2BMEN1KMT2ALNPEP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
WO-2009091014-A1 PHENYL ACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC PPARA 16/4885L3MBTL1 4317/4885CYP2C9 1505/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR PPARA 89/4885L3MBTL1 4654/4885CYP2C9 379/4885

“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.