SCHEMBL834522

SCHEMBL834522

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#CCCO)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
KDR P35968 14/20 0.42
PDGFRB P09619 9/20 0.42
SLC16A3 O15427 1/20 0.36
ATM Q13315 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
SCHEMBL836731 0.90 MAPT (0.44) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL835738 0.89 MAPT (0.41) MAPTMAPK1KDRPDGFRBATM
SCHEMBL835301 0.87 KDR (0.52) MAPTMAPK1KDRPDGFRB
SCHEMBL835768 0.87 KDR (0.52) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL836872 0.87 KDR (0.47) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL14713174 0.87 KDR (0.45) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL837235 0.87 KDR (0.44) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL833934 0.87 KDR (0.47) MAPTMAPK1KDRPDGFRBSLC16A3
SCHEMBL835314 0.87 KDR (0.43) MAPTKDRPDGFRB
SCHEMBL836325 0.86 KDR (0.46) MAPTMAPK1KDRPDGFRBSLC16A3

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 8 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-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

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 MAPT 1650/4885MAPK1 31/4885KDR 51/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885MAPK1 31/4885KDR 51/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885MAPK1 31/4885KDR 51/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 MAPT 4786/4885MAPK1 125/4885KDR 321/4885

“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.