SCHEMBL20544744

SCHEMBL20544744

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
AKT1 P31749 1/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
XBP1 P17861 1/20 0.43
CYP26A1 O43174 1/20 0.41
UTS2R Q9UKP6 7/20 0.41

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
SCHEMBL20544740 0.86 ROCK2 (0.47) ROCK2AKT1UTS2R
SCHEMBL387950 0.81 PPARA (0.42) ROCK2AKT1MAPTGAALMNA
SCHEMBL20544515 0.79 ROCK2 (0.44) ROCK2AKT1GAACYP26A1UTS2R
SCHEMBL3447391 0.77 CTSA (0.44) MAPTKMT2AGAALMNANPSR1
SCHEMBL20544814 0.77 GABBR2 (0.44) ROCK2AKT1MEN1KMT2AGAA
SCHEMBL20544919 0.77 KDM4E (0.43) GAALMNACYP1A2CYP3A4CYP2D6
SCHEMBL21979535 0.76 KDM4E (0.47) MEN1KMT2AGAALMNACYP3A4
SCHEMBL21979517 0.76 KDM4E (0.47) MEN1KMT2AGAALMNACYP3A4
SCHEMBL8514238 0.76 KDM4E (0.47) MEN1KMT2AGAALMNACYP3A4
SCHEMBL3446491 0.75 CTSA (0.40) MEN1KMT2ALMNACYP1A2CYP3A4

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 3/4885MAPT 3725/4885

“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.