SCHEMBL833247

SCHEMBL833247

COc1ccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3cccc(Cl)c3)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.43
PDGFRB P09619 11/20 0.43
ACACB O00763 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SLC16A3 O15427 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL833957 0.93 KDR (0.45) KDRPDGFRBACACBSLC16A3
SCHEMBL837134 0.92 KDR (0.41) KDRPDGFRBACACBPTGDR2SLC16A3
SCHEMBL835362 0.91 KDR (0.50) KDRPDGFRBACACBSLC16A3
SCHEMBL835500 0.90 KDR (0.42) KDRPDGFRBACACBPTGDR2SLC16A3
SCHEMBL836212 0.90 KDR (0.45) KDRPDGFRBACACBSLC16A3
SCHEMBL833444 0.90 KDR (0.45) KDRPDGFRBPTGDR2ALDH1A1GAA
SCHEMBL834088 0.89 KDR (0.44) KDRPDGFRBALDH1A1GAAPKM
SCHEMBL832647 0.88 KDR (0.48) KDRPDGFRB
SCHEMBL835478 0.88 KDR (0.47) KDRPDGFRBPTGDR2SLC16A3
SCHEMBL833479 0.88 KDR (0.44) KDRPDGFRBACACBSLC16A3

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 368/4885ACACB 3328/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ACACB 3328/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ACACB 3328/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ACACB 2953/4885

“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.