SCHEMBL20544753

SCHEMBL20544753

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
AKT1 P31749 1/20 0.46
CNR1 P21554 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
UTS2R Q9UKP6 13/20 0.44
POLB P06746 1/20 0.43
CASR P41180 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL391960 0.85 MTNR1A (0.50) AKT1CNR1UTS2R
SCHEMBL20544787 0.82 UTS2R (0.49) UTS2R
SCHEMBL20544752 0.81 UTS2R (0.48) THRBCYP2C9CYP2C19UTS2R
SCHEMBL387775 0.80 P2RY2 (0.45) THRBAKT1CYP2C9CYP2C19UTS2R
SCHEMBL20544982 0.80 WDR91 (0.49) UTS2R
SCHEMBL3656739 0.79 UTS2R (0.47) CNR1UTS2R
SCHEMBL20545427 0.78 DCAF1 (0.51) THRBCYP2C9CYP2C19POLB
SCHEMBL391063 0.78 CYP2C9 (0.50) THRBCNR1CYP2C9CYP2C19POLB
SCHEMBL20544796 0.78 GABBR2 (0.53) THRBCYP2C9CYP2C19UTS2RCNR2
SCHEMBL20544740 0.77 ROCK2 (0.47) AKT1UTS2R

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 THRB 587/4885AKT1 3/4885CNR1 1799/4885

“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.