SCHEMBL2332959

SCHEMBL2332959

O=C(O)CC(S)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.52
EEF2K O00418 2/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
PPARG P37231 1/20 0.45
PDPK1 O15530 1/20 0.44
CNR2 P34972 1/20 0.44
ACP3 P15309 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HSD11B1 P28845 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL999962 0.84 GABBR2 (0.42) FFAR1
SCHEMBL7485566 0.83 FFAR1 (0.56) FFAR1EEF2KCES2CES1PPARG
SCHEMBL29178241 0.81 FNTA (0.57) FFAR1EEF2KCES2CES1PPARG
SCHEMBL12894897 0.79 FFAR1 (0.56) FFAR1EEF2KCES2CES1PPARG
SCHEMBL5607267 0.79 FFAR1 (0.60) FFAR1EEF2KPDPK1CNR2ACP3
SCHEMBL1147793 0.79 FFAR1 (0.52) FFAR1EEF2KCES2CES1PPARG
SCHEMBL9867124 0.79 LDHA (0.56) FFAR1EEF2KCES2CES1PPARG
SCHEMBL23340741 0.78 EPHX2 (0.44)
Hydrochloric Acid SCHEMBL18130696 0.77 FFAR1 (0.51) FFAR1EEF2KCES2CES1PPARG
Hydrochloric Acid SCHEMBL5371092 0.77 FFAR1 (0.51) FFAR1EEF2KCES2CES1PPARG

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
EP-2359819-A1 Substituted styryl benzylsulfones for treating proliferative disorders Temple University - Of The Commonwealth System of Higher Education (US) 2011-08-24 EP disclosed
US-6642410-B2 Useful as antiproliferative agents, including, for example, anticancer agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-04 US disclosed
EP-1305015-A4 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2003-05-21 EP disclosed
EP-1305015-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-05-02 EP disclosed
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents REDDY E PREMKUMAR (US) 2003-02-20 US disclosed
US-6486210-B2 SUCH AS ENANTIOMORPHS OF 4-FLUOROSTYRYL-2,3,4,5,6-PENTAFLUOROBENZYLSULFONE; ANTIPROLIFERATIVE/ANTICANCER AGENTS Temple University—Of the Commonwealth System of Higher Education 2002-11-26 US disclosed
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-08-22 US disclosed
WO-2001078712-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 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 (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-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 FFAR1 4257/4885EEF2K 422/4885CES2 3273/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS FFAR1 1081/4885EEF2K 1810/4885CES2 2574/4885

“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.