SCHEMBL18160878

SCHEMBL18160878

COc1c(/C=C/C(=O)O)c(NS(=O)(=O)c2cccs2)cc2c1OCCO2

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 13/20 0.79
AKT1 P31749 3/20 0.54
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
BCL2A1 Q16548 1/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18163762 0.93 CNKSR1 (0.85) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL18160877 0.89 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1HPGDTSHR
SCHEMBL18160876 0.88 CNKSR1 (0.86) CNKSR1AKT1ALDH1A1HPGDTSHR
SCHEMBL18163763 0.84 CNKSR1 (0.83) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL18163744 0.84 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL18160896 0.84 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1HPGDTSHR
SCHEMBL18163741 0.84 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL18148025 0.81 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL18163743 0.81 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL17211656 0.81 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1

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 3 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
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.