SCHEMBL2339014

SCHEMBL2339014

CS(=O)(=O)c1ccc(-n2cc(Br)c(O)cc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.43
PTGS2 P35354 10/20 0.41
ENPP2 Q13822 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
ESR1 P03372 2/20 0.39
ESRRA P11474 2/20 0.39
ESR2 Q92731 2/20 0.39
PTGS1 P23219 1/20 0.39
MELK Q14680 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
SCHEMBL2334273 0.82 GPR119 (0.47) PTGS2ENPP2GPR119PTGS1
SCHEMBL2337239 0.79 GPR119 (0.45) PTGS2ENPP2GPR119ESRRAPTGS1
SCHEMBL2336025 0.75 PTGS2 (0.45) PTGS2GPR119
SCHEMBL1550632 0.75 ENPP2 (0.50) PTGS2ENPP2GPR119MELK
SCHEMBL10059432 0.70 KDM4E (0.61) PTGS2PTGS1
SCHEMBL15036811 0.70 ENPP2 (0.50) ENPP2SRCPRKACAPRKACGPRKACB
SCHEMBL2524677 0.69 ALDH1A1 (0.39) PTGS2GPR119ESR1ESR2PTGS1
SCHEMBL12333865 0.67 GPR119 (0.58) PTGS2GPR119PTGS1
SCHEMBL1577323 0.67 ENPP2 (0.50) HSD17B3ENPP2
SCHEMBL1381320 0.66 PTGS2 (0.53) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 HSD17B3 1799/4885PTGS2 607/4885ENPP2 341/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 HSD17B3 1799/4885PTGS2 607/4885ENPP2 341/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 HSD17B3 1776/4885PTGS2 626/4885ENPP2 359/4885

“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.