SCHEMBL2338469

SCHEMBL2338469

COc1ccc(C[S+]([O-])C/C=C/SSCc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
MAPK1 P28482 2/20 0.33
IDO1 P14902 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL2338474 1.00 NFE2L2 (0.36) NFE2L2ALDH1A1EGFRERBB2TAS2R14
SCHEMBL2259985 0.94 TSHR (0.37) ALDH1A1MAPK1IDO1SMN1; SMN2TP53
SCHEMBL2259981 0.94 TSHR (0.37) ALDH1A1MAPK1IDO1SMN1; SMN2TP53
SCHEMBL2258867 0.89 LTA4H (0.41) ALDH1A1IDO1SMN1; SMN2POLBTP53
SCHEMBL12362842 0.89 ACHE (0.43) ALDH1A1EGFRIDO1SMN1; SMN2MAPT
SCHEMBL21189910 0.89 LTA4H (0.41) ALDH1A1IDO1SMN1; SMN2POLBTP53
SCHEMBL2258863 0.89 LTA4H (0.41) ALDH1A1IDO1SMN1; SMN2POLBTP53
SCHEMBL21190015 0.89 LTA4H (0.41) ALDH1A1IDO1SMN1; SMN2POLBTP53
SCHEMBL23796902 0.87 MEN1 (0.37) ALDH1A1IDO1SMN1; SMN2MAPTTP53
SCHEMBL23796904 0.87 MEN1 (0.37) ALDH1A1IDO1SMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524781-B2 Organosulfur compounds, a method of making organosulfur compounds and their use for inhibiting the growth of tumour cells UNIVERSITY OF CAPE TOWN (ZA) 2013-09-03 US disclosed
US-20110190368-A1 Organosulfur Compounds, a Method of Making Organosulfur Compounds and their Use for Inhibiting the Growth of Tumour Cells UNIVERSITY OF CAPE TOWN (ZA) 2011-08-04 US 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 (1 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-20110190368-A1 Organosulfur Compounds, a Method of Making Organosulfur Compounds and their Use for Inhibiting the Growth of Tumour Cells OR10J3, RCOR3, CBR3 NFE2L2 1672/4885ALDH1A1 2183/4885EGFR 1281/4885

“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.