SCHEMBL17211661

SCHEMBL17211661

COc1c(/C=C/C(=O)OC(C)(C)C)cc(NS(=O)(=O)c2cccs2)c2c1OCO2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 13/20 0.63
AKT1 P31749 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.42
BCL2A1 Q16548 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL17211669 0.90 CNKSR1 (0.78) CNKSR1AKT1SMN1; SMN2ALDH1A1MEN1
SCHEMBL17200780 0.88 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL15811477 0.88 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL20798600 0.88 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL15811504 0.88 CNKSR1 (0.81) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL17211718 0.87 CNKSR1 (0.64) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL17211657 0.86 CNKSR1 (0.60) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL18160896 0.83 CNKSR1 (0.67) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL18160885 0.83 CNKSR1 (0.75) CNKSR1AKT1SMN1; SMN2BCL2A1ALDH1A1
SCHEMBL17211650 0.82 CNKSR1 (0.46) CNKSR1AKT1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
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 936/4885SMN1; SMN2 3206/4885

“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.