SCHEMBL15811527

SCHEMBL15811527

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 1.00
AKT1 P31749 3/20 1.00
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
BCL2A1 Q16548 2/20 0.46
BCL2 P10415 1/20 0.44
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
BCL2L2 Q92843 1/20 0.44
BRAF P15056 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL17211671 0.91 CNKSR1 (0.84) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811525 0.88 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811531 0.88 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BCL2BID
SCHEMBL17200785 0.88 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BCL2BID
SCHEMBL19867384 0.87 CNKSR1 (0.83) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL19857084 0.83 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811562 0.83 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857087 0.81 CNKSR1 (0.68) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811563 0.81 CNKSR1 (0.68) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857081 0.81 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1

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 9 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
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-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
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
WO-2014093988-A2 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2014-06-19 WO 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.