SCHEMBL835974

SCHEMBL835974

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3cccc4ccccc34)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.44
KDR P35968 11/20 0.42
PDGFRB P09619 9/20 0.42
CSF1R P07333 1/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ACACB O00763 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL832992 0.90 SLC16A3 (0.48) SLC16A3KDRPDGFRBCSF1RMAPT
SCHEMBL834987 0.90 KDR (0.46) SLC16A3KDRPDGFRBACACB
SCHEMBL834685 0.89 SLC16A3 (0.46) SLC16A3KDRPDGFRBMAPTMAPK1
SCHEMBL833475 0.89 KDR (0.43) SLC16A3KDRPDGFRBACACB
SCHEMBL836518 0.88 SLC16A3 (0.45) SLC16A3KDRPDGFRBMAPTMAPK1
SCHEMBL835659 0.88 SLC16A3 (0.45) SLC16A3KDRPDGFRBNFE2L2MAPT
SCHEMBL833286 0.88 KDR (0.52) SLC16A3KDRPDGFRBACACB
SCHEMBL1477070 0.88 KDR (0.48) SLC16A3KDRPDGFRBMAPTMAPK1
SCHEMBL832233 0.87 KDR (0.43) SLC16A3KDRPDGFRBACACB
SCHEMBL835768 0.87 KDR (0.52) SLC16A3KDRPDGFRBMAPTMAPK1

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 SLC16A3 4324/4885KDR 51/4885PDGFRB 368/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 SLC16A3 4324/4885KDR 51/4885PDGFRB 368/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SLC16A3 4324/4885KDR 51/4885PDGFRB 368/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 SLC16A3 4434/4885KDR 321/4885PDGFRB 409/4885

“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.