SCHEMBL2340409

SCHEMBL2340409

O=C(OF)C(F)(F)S(=O)(=O)C(F)(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
PTPN1 P18031 3/20 0.38
KCNN4 O15554 2/20 0.38
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CYP1A2 P05177 1/20 0.33
CES1 P23141 1/20 0.33
KAT6A Q92794 1/20 0.33
HSD11B1 P28845 2/20 0.33
KMT2A Q03164 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4124865 0.77 CA1 (0.67) CA1CA2CA5ACA9PTPN1
SCHEMBL2451645 0.74 KCNN4 (0.45) CA1CA2CA5ACA9PTPN1
SCHEMBL3516103 0.73 GAA (0.37) KCNN4TSHRCYP1A2CES1HSD11B1
SCHEMBL29095960 0.72 KCNN4 (0.44) CA1CA2CA5ACA9PTPN1
SCHEMBL27568720 0.72 KCNN4 (0.44) CA1CA2CA5ACA9PTPN1
Hydrochloric Acid SCHEMBL29145555 0.72 KCNN4 (0.44) CA1CA2CA5ACA9PTPN1
SCHEMBL8583194 0.71 KCNN4 (0.42) CA1CA2CA5ACA9PTPN1
SCHEMBL2990556 0.70 CA1 (0.57) CA1CA2CA5ACA9PTPN1
SCHEMBL28049560 0.70 CHRM3 (0.46) KCNN4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3870301 0.69 PTPN1 (0.67) CA1CA2CA5ACA9PTPN1

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 CA1 4254/4885CA2 3943/4885CA5A 2299/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CA1 841/4885CA2 1209/4885CA5A 1169/4885

“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.