SCHEMBL2336216

SCHEMBL2336216

COc1cc(CSCC(=O)O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 4/20 0.51
PTGS2 P35354 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GRK6 P43250 1/20 0.46
POLB P06746 1/20 0.46
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
HTR1A P08908 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
UBE2N P61088 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
SCHEMBL11265685 0.82 CYP1A2 (0.61) CYP1A2ALDH1A1KMT2AMEN1GAA
SCHEMBL10614759 0.82 PTGS2 (0.61) ALDH1A1PTGS2KMT2AMEN1HTR2C
SCHEMBL2338533 0.79 CYP1A2 (0.71) CYP1A2ALDH1A1KMT2AMEN1GRK6
SCHEMBL6822745 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GRK6POLB
SCHEMBL27118038 0.78 CYP1A2 (0.57) CYP1A2ALDH1A1KMT2AMEN1POLB
SCHEMBL11862650 0.77 KIF11 (0.43) PTGS2KMT2AMEN1POLBHTR2C
SCHEMBL11862637 0.77 KIF11 (0.43) PTGS2KMT2AMEN1POLBHTR2C
SCHEMBL499116 0.77 GAA (0.61) ALDH1A1PTGS2KMT2AMEN1POLB
SCHEMBL498736 0.76 GAA (0.65) CYP1A2ALDH1A1KMT2AMEN1GRK6
Hydrochloric Acid SCHEMBL4002124 0.75 GAA (0.59) ALDH1A1PTGS2KMT2AMEN1POLB

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 CYP1A2 4230/4885ALDH1A1 375/4885PTGS2 3729/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CYP1A2 4786/4885ALDH1A1 2713/4885PTGS2 3628/4885

“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.