SCHEMBL6853937

SCHEMBL6853937

CC(C)(C)OC(=O)n1ccc(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.38
BCHE P06276 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BUB1 O43683 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 4/20 0.34
TYR P14679 1/20 0.33
HTR6 P50406 1/20 0.33
FAAH O00519 1/20 0.33
KLK7 P49862 2/20 0.32
KLK5 Q9Y337 1/20 0.32
STS P08842 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
SCHEMBL18190298 0.87 L3MBTL1 (0.36) GPR119BCHEABCB1MEN1KMT2A
SCHEMBL982157 0.85 BCHE (0.36) GPR119BCHEABCB1MEN1KMT2A
SCHEMBL28125734 0.84 KLK7 (0.36) GPR119BCHEMEN1KMT2ABUB1
SCHEMBL14213914 0.84 GPR119 (0.35) GPR119BCHEABCB1MEN1KMT2A
SCHEMBL18133541 0.83 BUB1 (0.35) GPR119BCHEABCB1MEN1KMT2A
SCHEMBL14966067 0.79 APLNR (0.41) GPR119BCHEMEN1KMT2ABUB1
SCHEMBL7528678 0.77 ESR2 (0.40) GPR119BCHEMEN1KMT2ABUB1
SCHEMBL11911366 0.77 GPR119 (0.39) GPR119BCHEMEN1KMT2ABUB1
SCHEMBL12593934 0.76 NR1H2 (0.41) GPR119BCHEMEN1KMT2ABUB1
SCHEMBL1018306 0.76 BCHE (0.38) GPR119BCHEMEN1KMT2ABUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849019-A A kind of azepine Cydic amide derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
CN-104470934-B Kinases inhibitor 爱仕达生物技术有限责任公司 2017-08-04 CN disclosed
CN-105924379-A Preparation method of 1-BOC-3-hydroxymethyl pyrrolidine 苏州艾缇克药物化学有限公司 2016-09-07 CN disclosed
CN-104470934-A Protein kinase inhibitors ASTAR BIOTECH LLC 2015-03-25 CN disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 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 (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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC GPR119 1553/4885BCHE 923/4885PPARG 1410/4885
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS GPR119 1574/4885BCHE 911/4885PPARG 1297/4885

“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.