SCHEMBL2337845

SCHEMBL2337845

COc1cc(OC)c(CCC(=O)S)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.43
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27986455 0.85 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2PTPN1
SCHEMBL7193907 0.84 CYP2D6 (0.57) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL491024 0.84 POLB (0.50) CYP3A4USP2MAPK1SMN1; SMN2PTPN1
SCHEMBL6475818 0.84 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2PTPN1
SCHEMBL7195808 0.80 KMT2A (0.50) ALDH1A1KMT2A
SCHEMBL10683811 0.79 USP2 (0.44) CYP3A4USP2MAPK1SMN1; SMN2PTPN1
SCHEMBL7193936 0.78 CYP3A4 (0.61) CYP3A4CYP2D6LMNACYP2C19ALDH1A1
SCHEMBL7192880 0.78 CYP3A4 (0.63) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL490672 0.78 POLB (0.47) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL2338537 0.78 AKR1B1 (0.47) CYP3A4SMN1; SMN2LMNAALDH1A1KMT2A

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 CYP3A4 4335/4885USP2 4078/4885MAPK1 416/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CYP3A4 4754/4885USP2 3343/4885MAPK1 738/4885

“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.