SCHEMBL835580

SCHEMBL835580

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(Br)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.45
PDGFRB P09619 9/20 0.45
SLC16A3 O15427 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MEP1B Q16820 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
SCHEMBL836872 0.93 KDR (0.47) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835255 0.92 KDR (0.48) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL1477070 0.92 KDR (0.48) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834588 0.91 KDR (0.46) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834756 0.91 KDR (0.54) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835768 0.91 KDR (0.52) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834443 0.90 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835493 0.90 KDR (0.42) KDRPDGFRBSLC16A3MAPTMAPK1
SCHEMBL836325 0.90 KDR (0.46) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL14713174 0.89 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1

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.