SCHEMBL834724

SCHEMBL834724

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.33
PTPRZ1 P23471 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
PTPN1 P18031 1/20 0.31
BACE1 P56817 1/20 0.31
TACR1 P25103 1/20 0.31
ADAMTS4 O75173 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TRPV1 Q8NER1 3/20 0.30
GPR119 Q8TDV5 2/20 0.30
MMP13 P45452 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL835022 0.81 ATR (0.37) ATRPTPRZ1CA2CA1PTPN1
SCHEMBL26398329 0.77 PTGS2 (0.43) CA2CA1CA12CA9GPR119
SCHEMBL31727039 0.77 CA1 (0.36) CA2CA1CA9
SCHEMBL31700858 0.76 CYP4F2 (0.33) BACE1
SCHEMBL31700765 0.76 CYP4F2 (0.33) BACE1
SCHEMBL23145884 0.76 ATR (0.40) ATRCA2CA1CNR1
SCHEMBL835705 0.76 CA2 (0.39) PTPRZ1CA2CA1BACE1CA12
SCHEMBL992588 0.73 MLYCD (0.43)
SCHEMBL16369618 0.73 CA2 (0.59) CA2CA1CA12CA9
SCHEMBL834774 0.72 IDO1 (0.46) CA2CA1CA12CA9

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 ATR 700/4885PTPRZ1 613/4885CA2 751/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 ATR 700/4885PTPRZ1 613/4885CA2 751/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ATR 700/4885PTPRZ1 613/4885CA2 751/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 ATR 890/4885PTPRZ1 189/4885CA2 2243/4885

“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.