SCHEMBL834731

SCHEMBL834731

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(F)cc3F)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.43
PDGFRB P09619 7/20 0.42
ALPL P05186 1/20 0.38
AAK1 Q2M2I8 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL833510 0.89 KDR (0.42) KDRPDGFRBPOLBCYP3A4CYP2C19
SCHEMBL834205 0.88 KDR (0.49) KDRPDGFRBALPLPOLB
SCHEMBL835317 0.88 KDR (0.47) KDRPDGFRBPOLB
SCHEMBL834762 0.87 KDR (0.44) KDRPDGFRBHAO1MAPT
SCHEMBL834914 0.86 KDR (0.47) KDRPDGFRBPOLBPTGDR2
SCHEMBL835584 0.86 KDR (0.43) KDRPDGFRBHAO1
SCHEMBL833297 0.85 KDR (0.44) KDRPDGFRBPTGDR2
SCHEMBL834199 0.85 KDR (0.49) KDRPDGFRBHAO1
SCHEMBL833713 0.84 KDR (0.46) KDRPDGFRBPOLBPTGDR2
SCHEMBL834015 0.84 KDR (0.47) 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 368/4885ALPL 4170/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALPL 4170/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALPL 4170/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ALPL 4718/4885

“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.