SCHEMBL17211660

SCHEMBL17211660

Cc1c(CCC(=O)O)cc(NS(=O)(=O)c2cccs2)c2c1OCO2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 10/20 0.56
AKT1 P31749 1/20 0.54
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
CCR2 P41597 1/20 0.43
BCL2A1 Q16548 3/20 0.42
MCL1 Q07820 2/20 0.42
BCL2 P10415 1/20 0.42
BID P55957 1/20 0.42
BCL2L1 Q07817 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
BCL2L2 Q92843 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
SCHEMBL15811490 0.89 CNKSR1 (0.64) CNKSR1AKT1PKMHSD17B10TSHR
SCHEMBL17211658 0.88 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL15811496 0.87 CNKSR1 (0.57) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL15811516 0.80 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL17211659 0.79 CNKSR1 (0.80) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL15811503 0.78 CNKSR1 (0.62) CNKSR1AKT1ALDH1A1BCL2A1
SCHEMBL17211652 0.75 CNKSR1 (0.85) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL10058123 0.74 MCL1 (0.66) ALDH1A1TSHRBCL2A1MCL1BCL2
SCHEMBL17200816 0.71 CNKSR1 (1.00) CNKSR1AKT1PKMHSD17B10BCL2A1
SCHEMBL15811509 0.71 CNKSR1 (1.00) CNKSR1AKT1PKMHSD17B10BCL2A1

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
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885AKT1 780/4885ALDH1A1 4731/4885

“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.