SCHEMBL17213396

SCHEMBL17213396

COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(/C=C/N2C(=O)CN(C)C2=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 8/20 0.65
AKT1 P31749 4/20 0.65
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
BRAF P15056 1/20 0.37
HPGD P15428 1/20 0.37
BCL2A1 Q16548 1/20 0.37
PGAM1 P18669 1/20 0.36

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
SCHEMBL17213426 0.85 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811566 0.84 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857081 0.84 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857077 0.83 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811539 0.83 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19867224 0.81 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857085 0.81 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811556 0.81 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19867321 0.80 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811527 0.79 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP 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

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 936/4885ALDH1A1 4764/4885

“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.