SCHEMBL15811530

SCHEMBL15811530

CCOC(=O)/C=C/c1c(O)c(O)cc(NS(=O)(=O)c2cccs2)c1SC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 1.00
AKT1 P31749 4/20 1.00
ALDH1A1 P00352 2/20 0.43
BCL2A1 Q16548 2/20 0.43
BCL2 P10415 1/20 0.43
BID P55957 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
BCL2L2 Q92843 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRAF P15056 1/20 0.41
HIF1A Q16665 1/20 0.41
PLK1 P53350 1/20 0.40

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
SCHEMBL15811525 0.90 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL17211665 0.86 CNKSR1 (0.85) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL15811531 0.86 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BCL2BID
SCHEMBL17200785 0.86 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BCL2BID
SCHEMBL15811555 0.81 CNKSR1 (0.76) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL17213427 0.81 CNKSR1 (0.74) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL17211784 0.80 CNKSR1 (0.73) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL19867384 0.80 CNKSR1 (0.83) CNKSR1AKT1ALDH1A1BCL2A1BCL2
SCHEMBL17213425 0.79 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1CYP3A4MEN1
SCHEMBL15888942 0.79 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1CYP3A4MEN1

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 6 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-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
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.