SCHEMBL3237305

SCHEMBL3237305

O=C(O)CS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
MMP14 P50281 1/20 0.45
ADAM17 P78536 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
EPHX2 P34913 3/20 0.42
EPHX1 P07099 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
LTA4H P09960 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL10976389 0.85 BCHE (0.49) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL3241093 0.84 KMT2A (0.45) MMP1FFAR1
SCHEMBL14378211 0.80 BCHE (0.49) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL2339659 0.79 KIF11 (0.51) KEAP1NFE2L2FFAR1L3MBTL1
SCHEMBL832030 0.79 KMT2A (0.55) KEAP1NFE2L2FFAR1
SCHEMBL514550 0.78 BCHE (0.50) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL378766 0.76 EPHX2 (0.54) CA2EPHX2EPHX1MRGPRX4LTA4H
SCHEMBL1137128 0.76 LMNA (0.47) FFAR1
SCHEMBL14426927 0.76 BCHE (0.46) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL28293656 0.76 MAPT (0.51) KEAP1NFE2L2MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735620-B2 Processes for preparing (E)-styrylbenzylsulfone compounds and uses thereof for treating proliferative disorders EPR PHARMACEUTICALS PVT. LTD (IN) 2014-05-27 US disclosed
US-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 US disclosed
EP-1292308-B1 ALPHA,BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2010-06-09 EP disclosed
EP-1292308-A4 ALPHA,BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2005-09-14 EP disclosed
US-6599932-B1 Highly selective in killing tumor cells but not normal cells TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-07-29 US disclosed
US-20030130339-A1 ALPHA, BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS REDDY E PREMKUMAR (US) 2003-07-10 US disclosed
US-6541475-B2 2-nitrostyryl-1-(naphthylmethyl)sulfone for example TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-04-01 US disclosed
EP-1292308-A1 ALPHA,BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-03-19 EP disclosed
US-20020028818-A1 Alpha, beta-unsaturated sulfones for treating proliferative disorders TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-07 US disclosed
WO-2001078733-A1 ALPHA,BETA-UNSATURATED SULFONES 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 (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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS PCNA, CDC25B, CCNB1 KEAP1 544/4885NFE2L2 444/4885MMP2 2648/4885
US-20020028818-A1 Alpha, beta-unsaturated sulfones for treating proliferative disorders QSOX1, CBR1, DEGS1 KEAP1 670/4885NFE2L2 12/4885MMP2 3228/4885
US-20030130339-A1 ALPHA, BETA-UNSATURATED SULFONES FOR TREATING PROLIFERATIVE DISORDERS QSOX1, CCNY, CBR1 KEAP1 616/4885NFE2L2 18/4885MMP2 3249/4885

“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.