SCHEMBL2336865

SCHEMBL2336865

COc1ccc(CS(=O)(=O)C(OC)C(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
CA2 P00918 7/20 0.51
CA1 P00915 6/20 0.51
CA9 Q16790 6/20 0.51
CA12 O43570 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
CA5A P35218 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL2338056 0.80 LDHA (0.56) LDHACA2SMN1; SMN2KMT2ANPSR1
SCHEMBL2335571 0.78 LDHA (0.54) LDHACA2CA1CA9CA12
SCHEMBL2342303 0.78 PRSS1 (0.45) CA2CA1CA9SMN1; SMN2CA5A
SCHEMBL3161608 0.77 KMT2A (0.45) ALDH1A1KMT2AGAAPOLB
SCHEMBL2338650 0.76 HSD17B10 (0.44) MAPTALDH1A1KMT2APOLB
SCHEMBL490731 0.74 LDHA (1.00) LDHACA2CA1CA9CA12
SCHEMBL23761311 0.74 LDHA (0.73) LDHAALDH1A1
SCHEMBL28274764 0.73 LDHA (0.48) LDHACA2CA1CA9CA12
SCHEMBL11911907 0.73 LDHA (0.78) LDHACA2CA1CA9CA12
SCHEMBL7205819 0.73 CA2 (0.59) LDHACA2CA1CA9CA12

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 11 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
EP-1305015-B1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2013-06-12 EP disclosed
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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 US 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 (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 LDHA 2469/4885CA2 3850/4885CA1 4149/4885
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 LDHA 2927/4885CA2 3943/4885CA1 4254/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS LDHA 2202/4885CA2 1209/4885CA1 841/4885

“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.