SCHEMBL20544740

SCHEMBL20544740

CS(=O)(=O)NCCC(NC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
KCNH2 Q12809 1/20 0.47
AKT3 Q9Y243 1/20 0.47
UTS2R Q9UKP6 18/20 0.45

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
SCHEMBL20544744 0.86 ROCK2 (0.46) ROCK2AKT1UTS2R
SCHEMBL20544787 0.82 UTS2R (0.49) UTS2R
SCHEMBL390933 0.82 P2RY2 (0.44) ROCK2AKT1AKT2KCNH2AKT3
SCHEMBL391960 0.80 MTNR1A (0.50) AKT1UTS2R
SCHEMBL20544982 0.77 WDR91 (0.49) UTS2R
SCHEMBL20544852 0.77 ROCK2 (0.46) ROCK2AKT1UTS2R
SCHEMBL20544753 0.77 THRB (0.48) AKT1UTS2R
SCHEMBL20544752 0.76 UTS2R (0.48) UTS2R
SCHEMBL20544814 0.75 GABBR2 (0.44) ROCK2AKT1UTS2R
SCHEMBL390688 0.75 KIF11 (0.41) ROCK2AKT1AKT2KCNH2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312516-A1 Protein Kinase B Inhibitors ASTRAZENECA AB (SE) 2018-11-01 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 (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-20180312516-A1 Protein Kinase B Inhibitors PRKAR2B, PRKCB, AKT1 ROCK2 60/4885AKT1 3/4885AKT2 4/4885

“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.