SCHEMBL835705

SCHEMBL835705

CC(C)(C)[Si](C)(C)OCc1ccc(S(C)(=N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA14 Q9ULX7 1/20 0.36
DRD1 P21728 1/20 0.35
KMT2A Q03164 1/20 0.34
PTPRZ1 P23471 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
PTGS2 P35354 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
PREP P48147 1/20 0.32
BACE1 P56817 1/20 0.32
DUT P33316 1/20 0.31

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
SCHEMBL26398329 0.89 PTGS2 (0.43) CA2CA9CA12CA1GPR119
SCHEMBL16369618 0.84 CA2 (0.59) CA2CA9CA12CA1CA14
SCHEMBL2882144 0.82 CA2 (0.40) CA2CA9CA12CA1KMT2A
SCHEMBL21810659 0.81 CA2 (0.34) CA2CA9CA12CA1CA14
SCHEMBL20692287 0.79 KMT2A (0.40) CA2CA9CA12CA1CA14
SCHEMBL25000119 0.77 CA2 (0.32) CA2CA9CA12CA1PTPRZ1
SCHEMBL3586423 0.77 CA2 (0.43) CA2CA9CA12CA1CA14
SCHEMBL8000219 0.77 SMN1; SMN2 (0.39) KMT2A
SCHEMBL31138173 0.77 CA2 (0.33) CA2CA9CA1PREPBACE1
SCHEMBL31727039 0.77 CA1 (0.36) CA2CA9CA1KMT2A

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 14 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
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 CA2 751/4885CA9 1465/4885CA12 2250/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 CA2 751/4885CA9 1465/4885CA12 2250/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 CA2 751/4885CA9 1465/4885CA12 2250/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 CA2 2243/4885CA9 4385/4885CA12 3962/4885

“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.