SCHEMBL17211781

SCHEMBL17211781

CN1CC(=O)N(/C=C/c2cc(N(S(=O)(=O)c3cccs3)S(=O)(=O)c3cccs3)c3c(c2O)OCO3)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 8/20 0.42
AKT1 P31749 1/20 0.42
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 3/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
PTGER3 P43115 1/20 0.30

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
SCHEMBL15811489 0.83 CNKSR1 (0.64) CNKSR1AKT1HSD17B10PKM
SCHEMBL18148011 0.83 CNKSR1 (0.64) CNKSR1AKT1HSD17B10PKM
SCHEMBL17211670 0.79 CNKSR1 (0.36) CNKSR1AKT1NPC1RAB9AHSD17B10
SCHEMBL17211662 0.70 CNKSR1 (0.35) CNKSR1AKT1NPC1RAB9AHSD17B10
SCHEMBL18148081 0.68 CNKSR1 (0.65) CNKSR1AKT1HSD17B10MAPTPKM
SCHEMBL15811542 0.68 CNKSR1 (0.65) CNKSR1AKT1HSD17B10MAPTPKM
SCHEMBL15811538 0.68 CNKSR1 (0.70) CNKSR1AKT1HSD17B10PKMALDH1A1
SCHEMBL18147993 0.68 CNKSR1 (0.70) CNKSR1AKT1HSD17B10PKMALDH1A1
SCHEMBL20798601 0.68 CNKSR1 (0.67) CNKSR1AKT1HSD17B10PKMALDH1A1
SCHEMBL18148216 0.68 CNKSR1 (0.67) CNKSR1AKT1HSD17B10PKMALDH1A1

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
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

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 936/4885NPC1 1500/4885

“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.