SCHEMBL834277

SCHEMBL834277

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(OC)c(OC)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.44
PDGFRB P09619 9/20 0.44
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP2C9 P11712 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
SCHEMBL836401 0.96 KDR (0.44) KDRPDGFRBALDH1A1GAAPOLB
SCHEMBL835317 0.94 KDR (0.47) KDRPDGFRBPOLB
SCHEMBL836298 0.93 KDR (0.45) KDRPDGFRB
SCHEMBL834174 0.92 KDR (0.52) KDRPDGFRBALDH1A1POLBMAPT
SCHEMBL836440 0.91 KDR (0.42) KDRPDGFRBPOLB
SCHEMBL834607 0.91 KDR (0.43) KDRPDGFRBTP53MAPTTHRB
SCHEMBL834609 0.91 KDR (0.43) KDRPDGFRBPOLB
SCHEMBL833726 0.91 KDR (0.47) KDRPDGFRBALDH1A1GAAPOLB
SCHEMBL833934 0.90 KDR (0.47) KDRPDGFRBMAPT
SCHEMBL835165 0.90 KDR (0.44) KDRPDGFRB

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 368/4885ALDH1A1 2605/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALDH1A1 2605/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALDH1A1 2605/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ALDH1A1 2320/4885

“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.