SCHEMBL18163745

SCHEMBL18163745

COc1c(/C=C/C(=O)NCc2ccco2)c(NS(=O)(=O)c2cccs2)cc2c1OCO2

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 0.79
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
AKT1 P31749 2/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL18163743 0.88 CNKSR1 (1.00) CNKSR1ALDH1A1AKT1
SCHEMBL18163741 0.85 CNKSR1 (1.00) CNKSR1ALDH1A1AKT1MAPTMEN1
SCHEMBL18163747 0.85 CNKSR1 (0.82) CNKSR1ALDH1A1AKT1
SCHEMBL18148198 0.85 CNKSR1 (0.56) CNKSR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL18148195 0.85 CNKSR1 (0.56) CNKSR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL18163762 0.84 CNKSR1 (0.85) CNKSR1ALDH1A1AKT1MAPTMEN1
SCHEMBL18148043 0.84 CNKSR1 (0.57) CNKSR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL18148040 0.84 CNKSR1 (0.57) CNKSR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL18163744 0.83 CNKSR1 (1.00) CNKSR1ALDH1A1AKT1MAPTMEN1
SCHEMBL18163763 0.83 CNKSR1 (0.83) CNKSR1ALDH1A1AKT1MAPTMEN1

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 2 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-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 1/4885ALDH1A1 4731/4885HPGD 3849/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885ALDH1A1 4731/4885HPGD 3849/4885

“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.