SCHEMBL5033774

SCHEMBL5033774

CS(=O)(=O)OCCc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 2/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 1/20 0.35
DAO P14920 2/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ELOVL1 Q9BW60 1/20 0.30

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
SCHEMBL858115 0.82 TAAR1 (0.49) IDO1CA1CA2CA9DAO
SCHEMBL980388 0.81 CA1 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20868558 0.80 IDO1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5034014 0.79 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23782510 0.78 MMP9 (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3258334 0.77 CA2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13545900 0.77 MAOB (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5344844 0.77 DAO (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
Alcohol SCHEMBL4228476 0.77 CA1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16726983 0.77 IDO1 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed