SCHEMBL17211670

SCHEMBL17211670

CN1CC(=O)N(CCc2cc(N(S(=O)(=O)c3cccs3)S(=O)(=O)c3cccs3)c3c(c2O)OCO3)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 7/20 0.36
AKT1 P31749 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 4/20 0.32
MAPT P10636 4/20 0.32
ALOX12 P18054 4/20 0.32
ALOX15 P16050 3/20 0.32
PKM P14618 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL17211662 0.86 CNKSR1 (0.35) CNKSR1AKT1NPC1RAB9AALDH1A1
SCHEMBL17211781 0.79 CNKSR1 (0.42) CNKSR1AKT1NPC1RAB9AALDH1A1
SCHEMBL19867248 0.78
SCHEMBL17211783 0.72 CNKSR1 (0.33) CNKSR1AKT1
SCHEMBL15811497 0.68 CNKSR1 (0.53) CNKSR1AKT1HSD17B10MAPTPKM
SCHEMBL20798610 0.67 CNKSR1 (0.52) CNKSR1AKT1SMN1; SMN2HSD17B10PKM
SCHEMBL18148011 0.64 CNKSR1 (0.64) CNKSR1AKT1HPGDSMN1; SMN2HSD17B10
SCHEMBL15811489 0.64 CNKSR1 (0.64) CNKSR1AKT1HPGDSMN1; SMN2HSD17B10
SCHEMBL20798622 0.61 CNKSR1 (0.51) CNKSR1AKT1HSD17B10MAPTPKM
SCHEMBL15811490 0.59 CNKSR1 (0.64) CNKSR1AKT1HSD17B10PKMKMT2A

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 5 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

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.