SCHEMBL17433482

SCHEMBL17433482

O=S(=O)(c1ccccc1)n1c(CBr)cc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
PPARD Q03181 2/20 0.43
LMNA P02545 2/20 0.40
SRC P12931 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR6 P50406 3/20 0.38
ACLY P53396 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCL8 P10145 1/20 0.38
NOD1 Q9Y239 1/20 0.38
FABP4 P15090 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17422763 0.88 PPARG (0.44) PPARGPPARAPPARDLMNASRC
SCHEMBL378955 0.85 CA12 (0.51) PPARGPPARAPPARDLMNASRC
SCHEMBL18824238 0.83 PPARG (0.42) PPARGPPARAPPARDLMNASRC
SCHEMBL17422768 0.82 PPARG (0.38) PPARGPPARAPPARDLMNASRC
SCHEMBL30629080 0.82 PPARG (0.56) PPARGPPARAPPARDHTTNOD1
SCHEMBL18851390 0.80 PPARG (0.39) PPARGPPARAPPARDLMNAHTR6
SCHEMBL17422769 0.80 PPARG (0.39) PPARGPPARAPPARDLMNASRC
SCHEMBL17422830 0.80 LMNA (0.42) LMNASRCCA12CA2CA9
SCHEMBL17433484 0.79 PPARG (0.39) PPARGPPARAPPARDLMNAHTR6
SCHEMBL17433409 0.78 CCR2 (0.54) LMNASRCACLYNOD1FABP4

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.