SCHEMBL17211783

SCHEMBL17211783

O=C1COC(=O)N1CCc1cc(N(SOOc2cccs2)S(=O)(=O)c2cccs2)c2c(c1O)OCO2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 3/20 0.33
AKT1 P31749 1/20 0.33
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL17211662 0.85 CNKSR1 (0.35) CNKSR1AKT1NOS3NOS1
SCHEMBL15811497 0.75 CNKSR1 (0.53) CNKSR1AKT1
SCHEMBL17211670 0.72 CNKSR1 (0.36) CNKSR1AKT1
SCHEMBL1383804 0.61 MAPT (0.46)
SCHEMBL17211781 0.58 CNKSR1 (0.42) CNKSR1AKT1
SCHEMBL20798610 0.58 CNKSR1 (0.52) CNKSR1AKT1
SCHEMBL2412390 0.57 MAPT (0.43)
SCHEMBL20798622 0.57 CNKSR1 (0.51) CNKSR1AKT1
SCHEMBL2409633 0.56 MEN1 (0.43)
SCHEMBL20798601 0.56 CNKSR1 (0.67) CNKSR1AKT1

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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 CNKSR1 1/4885AKT1 936/4885NOS3 4586/4885

“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.