SCHEMBL1477070

SCHEMBL1477070

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
PDGFRB P09619 8/20 0.48
SLC16A3 O15427 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
FFAR1 O14842 1/20 0.41
KAT6A Q92794 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
SLC7A11 Q9UPY5 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
SCHEMBL835768 0.95 KDR (0.52) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL836872 0.95 KDR (0.47) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL832025 0.94 KDR (0.51) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834588 0.93 KDR (0.46) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834756 0.93 KDR (0.54) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835580 0.92 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835378 0.92 KDR (0.47) KDRPDGFRBCA12CA1CA2
SCHEMBL834443 0.92 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL836325 0.92 KDR (0.46) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL836218 0.92 KDR (0.46) KDRPDGFRBSLC16A3MAPTHSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US claimed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP claimed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US claimed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO claimed
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP 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 (1 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-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.