SCHEMBL18148020

SCHEMBL18148020

CCOC(=O)COc1c(NS(=O)(=O)c2cccs2)cc2c(ncn2C)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CNKSR1 Q969H4 5/20 0.40
AKT1 P31749 2/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP2 P08253 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL18147978 0.85 ALDH1A1 (0.42) ALDH1A1TNFMAPK1NOD2NOD1
SCHEMBL18148051 0.85 CNKSR1 (0.44) ALDH1A1TNFMAPK1NOD2NOD1
SCHEMBL18147976 0.83 LMNA (0.36) ALDH1A1TP53KMT2AMEN1LMNA
SCHEMBL18160911 0.82 CNKSR1 (0.55) ALDH1A1TNFMAPK1NOD2NOD1
SCHEMBL18147953 0.78 CNKSR1 (0.60) ALDH1A1TNFMAPK1NOD2NOD1
SCHEMBL18148080 0.76 CNKSR1 (0.51) CNKSR1AKT1TP53KMT2AMEN1
SCHEMBL18148082 0.76 CNKSR1 (0.51) CNKSR1AKT1TP53KMT2AMEN1
SCHEMBL18148224 0.73 MAPT (0.42) ALDH1A1MAPK1CNKSR1HTTMAPT
SCHEMBL18148027 0.72 CNKSR1 (0.56) ALDH1A1CNKSR1AKT1KMT2AMAPT
SCHEMBL18148026 0.72 CNKSR1 (0.56) ALDH1A1CNKSR1AKT1KMT2AMAPT

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 ALDH1A1 4731/4885TNF 4840/4885MAPK1 359/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885TNF 4840/4885MAPK1 359/4885

“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.