SCHEMBL836172

SCHEMBL836172

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP14 P50281 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.40
PSIP1 O75475 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6438864 0.82 PSIP1 (0.48) HSD11B1POLBPSIP1ALDH1A1HSD17B10
SCHEMBL12750891 0.82 HSD11B1 (0.48) HSD11B1CYP2C19ALDH1A1HSD17B10TP53
SCHEMBL833215 0.71 HSD11B1 (0.38) HSD11B1MMP2MMP7POLBPSIP1
SCHEMBL1476455 0.71 HSD11B1 (0.38) HSD11B1MMP2MMP7POLBPSIP1
SCHEMBL835147 0.70 ALDH1A1 (0.44) MMP2POLBPSIP1MMP13ALDH1A1
SCHEMBL486729 0.70 ALDH1A1 (0.44) MMP2POLBPSIP1MMP13ALDH1A1
SCHEMBL487264 0.70 ALDH1A1 (0.44) MMP2POLBPSIP1MMP13ALDH1A1
SCHEMBL270706 0.69 MMP2 (0.77) HSD11B1MMP2MMP7MMP14POLB
SCHEMBL9400083 0.68 ALDH1A1 (0.54) MMP2POLBCYP2C19PSIP1MMP13
SCHEMBL3826587 0.68 BCAT1 (0.38) HSD11B1POLBALDH1A1HSD17B10HTT

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 9 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
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
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 (3 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 HSD11B1 4291/4885MMP2 1207/4885MMP7 1366/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 HSD11B1 4291/4885MMP2 1207/4885MMP7 1366/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HSD11B1 4291/4885MMP2 1207/4885MMP7 1366/4885

“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.