SCHEMBL833476

SCHEMBL833476

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.48
PDGFRB P09619 9/20 0.48
MMP2 P08253 4/20 0.41
MMP3 P08254 3/20 0.41
MMP13 P45452 3/20 0.41
SLC16A3 O15427 2/20 0.41
MAPT P10636 2/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 2/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL836218 0.96 KDR (0.46) KDRPDGFRBMMP2MMP3MMP13
SCHEMBL836298 0.95 KDR (0.45) KDRPDGFRBMMP2MMP3MMP13
SCHEMBL832578 0.92 KDR (0.46) KDRPDGFRBMAPTALDH1A1GAA
SCHEMBL834067 0.92 KDR (0.51) KDRPDGFRBMAPT
SCHEMBL836057 0.92 KDR (0.43) KDRPDGFRBMAPT
SCHEMBL833540 0.91 KDR (0.51) KDRPDGFRBMAPTALDH1A1
SCHEMBL835551 0.91 KDR (0.51) KDRPDGFRBMAPTALDH1A1
SCHEMBL834278 0.90 KDR (0.44) KDRPDGFRBSLC16A3
SCHEMBL836650 0.90 KDR (0.53) KDRPDGFRBSLC16A3MAPT
SCHEMBL835062 0.90 KDR (0.53) KDRPDGFRBSLC16A3MAPT

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 11 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
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
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 KDR 51/4885PDGFRB 368/4885MMP2 1207/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MMP2 1207/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MMP2 1207/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885MMP2 3102/4885

“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.