SCHEMBL18147953

SCHEMBL18147953

CCOC(=O)COc1c(NS(=O)(=O)c2cccs2)cc2c(c1F)OCO2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 0.60
AKT1 P31749 2/20 0.52
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.39
TNF P01375 1/20 0.39
MAPK1 P28482 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL18148074 0.84 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL18160894 0.81 CNKSR1 (0.80) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL18148020 0.78 ALDH1A1 (0.42) CNKSR1AKT1ALDH1A1PKMMEN1
SCHEMBL17211656 0.75 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL18148025 0.75 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL17211658 0.74 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL15811503 0.74 CNKSR1 (0.62) CNKSR1AKT1ALDH1A1MEN1MAPT
SCHEMBL20798607 0.74 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL18148015 0.73 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1PKMHSD17B10
SCHEMBL18148013 0.73 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1PKMHSD17B10

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
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885AKT1 780/4885ALDH1A1 4731/4885
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.