SCHEMBL18163747

SCHEMBL18163747

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

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 13/20 0.82
AKT1 P31749 3/20 0.47
ALDH1A1 P00352 1/20 0.40
BCL2A1 Q16548 1/20 0.40
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER3 P43115 3/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER2 P43116 2/20 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
SCHEMBL18163743 0.90 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18163741 0.88 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18163762 0.86 CNKSR1 (0.85) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18163745 0.85 CNKSR1 (0.79) CNKSR1AKT1ALDH1A1
SCHEMBL18163763 0.85 CNKSR1 (0.83) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18163744 0.85 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18163767 0.85 CNKSR1 (0.81) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL17211656 0.84 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL18148025 0.84 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM
SCHEMBL15811564 0.83 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1BCL2A1PKM

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 1/4885AKT1 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.