SCHEMBL834762

SCHEMBL834762

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(F)cc3F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.44
PDGFRB P09619 8/20 0.43
SLC16A3 O15427 1/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT6A Q92794 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
SCHEMBL833510 0.90 KDR (0.42) KDRPDGFRBSLC16A3HAO1NPC1
SCHEMBL834103 0.89 KDR (0.49) KDRPDGFRBSLC16A3MAPTMAPK1
SCHEMBL836764 0.88 KDR (0.52) KDRPDGFRB
SCHEMBL836120 0.88 KDR (0.45) KDRPDGFRBSLC16A3MAPTMAPK1
SCHEMBL834199 0.88 KDR (0.49) KDRPDGFRBSLC16A3HAO1
SCHEMBL835810 0.88 KDR (0.46) KDRPDGFRBPKM
SCHEMBL834731 0.87 KDR (0.43) KDRPDGFRBMAPTHAO1
SCHEMBL834685 0.86 SLC16A3 (0.46) KDRPDGFRBSLC16A3MAPTMAPK1
SCHEMBL833957 0.86 KDR (0.45) KDRPDGFRBSLC16A3MAPTMAPK1
SCHEMBL836872 0.86 KDR (0.47) KDRPDGFRBSLC16A3MAPTMAPK1

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

“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.