SCHEMBL1001775

SCHEMBL1001775

CS(=O)(=O)OCc1ccc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NFE2L2 Q16236 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCHR1 Q99705 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
HTT P42858 2/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
PTK2 Q05397 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12661548 0.81 SYK (0.39) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15986833 0.79 CYP1A2 (0.32)
SCHEMBL1126532 0.79 GBA1 (0.40) KDM4EALDH1A1MCHR1GRM2MBOAT4
SCHEMBL506719 0.79 HTR2A (0.39) MCHR1MBOAT4
SCHEMBL30047078 0.79 GBA1 (0.40) KDM4EALDH1A1MCHR1GRM2MBOAT4
SCHEMBL31723841 0.79 SMN1; SMN2 (0.45) NFE2L2ALDH1A1SMN1; SMN2GPR119HTT
SCHEMBL19539397 0.78 MMP2 (0.35) KDM4EALDH1A1
SCHEMBL18326358 0.78 APLNR (0.40) NFE2L2LMNAMCHR1MBOAT4
SCHEMBL9952658 0.77 SIRT6 (0.35) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL20919413 0.77 KDM4E (0.32) KDM4ENFE2L2ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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 (5 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR PTGS1 1870/4885PTGS2 2140/4885KDM4E 1753/4885
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 PTGS1 271/4885PTGS2 374/4885KDM4E 2070/4885
US-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC PTGS1 223/4885PTGS2 440/4885KDM4E 1591/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PTGS1 271/4885PTGS2 374/4885KDM4E 2070/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR PTGS1 1504/4885PTGS2 2659/4885KDM4E 1819/4885

“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.