SCHEMBL5034014

SCHEMBL5034014

CS(=O)(=O)OCCc1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 2/20 0.35
CNR1 P21554 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL18097470 0.83 KDM4E (0.35) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3130844 0.81 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5033774 0.79 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20303474 0.78 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3605685 0.77 HTR2A (0.46)
SCHEMBL5539055 0.77 LMNA (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL27176755 0.77 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29263722 0.74 PSEN1 (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL980388 0.72 CA1 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5344844 0.71 DAO (0.40) 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