SCHEMBL413328

SCHEMBL413328

CCOP(=O)(CC#N)OCC.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ACHE P22303 1/20 0.43
PPARD Q03181 2/20 0.43
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL95691 0.98 TSHR (0.59) TSHRACHEPPARDTP53TDP1
SCHEMBL9248074 0.95 TSHR (0.56) TSHRACHEPPARDTP53TDP1
SCHEMBL7367885 0.93 TSHR (0.54) TSHRACHEPPARDTP53TDP1
SCHEMBL25093119 0.87 TSHR (0.48) TSHRACHEPPARDTP53TDP1
SCHEMBL19249492 0.87 TSHR (0.48) TSHRACHEPPARDTP53TDP1
SCHEMBL19399063 0.86 TSHR (0.52) TSHRACHEPPARDTP53TDP1
SCHEMBL21841220 0.81 TSHR (0.46) TSHRACHEPPARDTP53TDP1
SCHEMBL15319121 0.79 TSHR (0.37) TSHRACHEMEN1KMT2A
SCHEMBL20526207 0.77 TSHR (0.65) TSHRACHEPPARDTP53TDP1
SCHEMBL28492909 0.76 TSHR (0.94) TSHRACHEPPARDTP53TDP1

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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
US-4161582-A Process to produce oxazinomycin HOFFMAN-LA ROCHE INC. (US) 1979-07-17 US disclosed
US-4096321-A Process to produce oxazinomycin and intermediates HOFFMANN-LA ROCHE INC. (US) 1978-06-20 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 (1 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP TSHR 4335/4885ACHE 4399/4885PPARD 4403/4885

“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.