SCHEMBL834730

SCHEMBL834730

CC(C)(C)[Si](C)(C)OCCC[S@](=N)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.39
ABCB1 P08183 2/20 0.34
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
PSIP1 O75475 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
NR1I2 O75469 1/20 0.32
BACE1 P56817 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
SCHEMBL834729 1.00 DUT (0.39) DUTABCB1MAPK1CA12CA1
SCHEMBL13254524 0.85 PSIP1 (0.42) DUTALDH1A1HSD11B1PSIP1
SCHEMBL16782070 0.76 DUT (0.38) DUTCA2
SCHEMBL16782101 0.75 DUT (0.37) DUT
SCHEMBL4000005 0.73 MAPK1 (0.42) DUTMAPK1NR1I2
SCHEMBL31180455 0.72 ALDH1A1 (0.59) MAPK1ALDH1A1
SCHEMBL2409408 0.71 PLCG1 (0.42) DUTMAPK1CA12CA1CA2
SCHEMBL13975673 0.71 TDP1 (0.50) ABCB1ALDH1A1HSD11B1PSIP1TLR7
SCHEMBL17678041 0.71 CA2 (0.35) DUTCA2
SCHEMBL15802645 0.70 TLR9 (0.41) DUTABCB1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 DUT 2326/4885ABCB1 1061/4885MAPK1 31/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 DUT 2326/4885ABCB1 1061/4885MAPK1 31/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 DUT 2326/4885ABCB1 1061/4885MAPK1 31/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 DUT 1033/4885ABCB1 3884/4885MAPK1 125/4885

“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.