SCHEMBL17433484

SCHEMBL17433484

CCOP(=O)(Cc1cc2ccc(Br)cc2n1S(=O)(=O)c1ccccc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 2/20 0.37
NOD2 Q9HC29 4/20 0.36
NOD1 Q9Y239 4/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 2/20 0.35
MTNR1B P49286 1/20 0.34
ACLY P53396 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18824238 0.83 PPARG (0.42) PPARGPPARAPPARDLMNAMAPT
SCHEMBL18851390 0.80 PPARG (0.39) PPARGPPARAPPARDNOD2NOD1
SCHEMBL18850580 0.79 PPARG (0.43) PPARGPPARAPPARDNOD2NOD1
SCHEMBL17433482 0.79 PPARG (0.43) PPARGPPARAPPARDNOD1LMNA
SCHEMBL17422763 0.78 PPARG (0.44) PPARGPPARAPPARDNOD1LMNA
SCHEMBL17422768 0.75 PPARG (0.38) PPARGPPARAPPARDNOD1LMNA
SCHEMBL17422769 0.73 PPARG (0.39) PPARGPPARAPPARDLMNAMAPT
SCHEMBL18537910 0.73 NOD2 (0.67) NOD2NOD1LMNAMAPTSMN1; SMN2
SCHEMBL17422830 0.71 LMNA (0.42) NOD1LMNAMAPTSMN1; SMN2HTR6
SCHEMBL17433409 0.69 CCR2 (0.54) NOD2NOD1LMNAMAPTACLY

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 PPARG 353/4885PPARA 467/4885PPARD 443/4885

“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.