SCHEMBL17433459

SCHEMBL17433459

COC(=O)c1cc(Br)cc2[nH]c(-c3cc4c(C(=O)OC)cc(Br)cc4[nH]3)cc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.50
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHEK1 O14757 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX5 P09917 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
KIF11 P52732 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NOTUM Q6P988 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
SCHEMBL18851498 0.86 NR4A2 (0.49) NR4A2MAPTL3MBTL1CHEK1SLC6A3
SCHEMBL18851180 0.84 NR4A2 (0.48) NR4A2MAPTL3MBTL1CHEK1SLC6A3
SCHEMBL29707485 0.80 NR4A2 (0.47) NR4A2MAPTL3MBTL1CHEK1KIF11
SCHEMBL27030475 0.80 NR4A2 (0.47) NR4A2MAPTL3MBTL1CHEK1KIF11
SCHEMBL19179903 0.80 AKR1C3 (0.44) L3MBTL1ALDH1A1GAA
SCHEMBL1868464 0.76 NR4A2 (0.52) NR4A2L3MBTL1CHEK1PIM1PIM3
SCHEMBL24093953 0.76 ATR (0.42) NR4A2MAPTL3MBTL1CHEK1ALDH1A1
SCHEMBL459193 0.75 TDO2 (0.53) NR4A2MAPTL3MBTL1
SCHEMBL31158048 0.75 TDO2 (0.53) NR4A2MAPTL3MBTL1
SCHEMBL17433433 0.73 NR4A2 (0.46) NR4A2MAPTALDH1A1

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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US 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 NR4A2 3468/4885MAPT 3760/4885L3MBTL1 1562/4885

“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.