SCHEMBL835280

SCHEMBL835280

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(Cl)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
PDGFRB P09619 7/20 0.42
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL834155 1.00 KDR (0.42) KDRPDGFRBHSP90AA1ALDH1A1PTGDR2
SCHEMBL836298 0.95 KDR (0.45) KDRPDGFRB
SCHEMBL835541 0.93 KDR (0.47) KDRPDGFRBALDH1A1PTGDR2PTGS1
SCHEMBL835642 0.92 KDR (0.42) KDRPDGFRBPTGDR2
SCHEMBL833561 0.92 KDR (0.42) KDRPDGFRBHSP90AA1PTGDR2PTGS1
SCHEMBL833540 0.91 KDR (0.51) KDRPDGFRBALDH1A1PTGS2TP53
SCHEMBL835551 0.91 KDR (0.51) KDRPDGFRBALDH1A1PTGS2TP53
SCHEMBL834443 0.90 KDR (0.45) KDRPDGFRBALDH1A1PTGDR2MAPT
SCHEMBL833444 0.90 KDR (0.45) KDRPDGFRBALDH1A1PTGDR2KMT2A
SCHEMBL835493 0.90 KDR (0.42) KDRPDGFRBALDH1A1PTGS1PTGS2

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 368/4885HSP90AA1 1618/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HSP90AA1 1618/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HSP90AA1 1618/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885HSP90AA1 1825/4885

“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.