SCHEMBL17211671

SCHEMBL17211671

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

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 9/20 0.84
AKT1 P31749 3/20 0.84
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
BCL2A1 Q16548 2/20 0.45
BRAF P15056 4/20 0.44
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
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL15811527 0.91 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811525 0.85 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857084 0.81 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811562 0.81 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811566 0.80 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857081 0.80 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811531 0.79 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BRAFBCL2
SCHEMBL17200785 0.79 CNKSR1 (1.00) CNKSR1AKT1BCL2A1BRAFBCL2
SCHEMBL19857077 0.79 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811539 0.79 CNKSR1 (0.66) 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 2 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-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.