SCHEMBL4171508

SCHEMBL4171508

O=C(O)c1c(C(F)(F)F)cc(Br)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 1/20 0.43
NOTUM Q6P988 2/20 0.41
TAS2R14 Q9NYV8 3/20 0.40
DAO P14920 1/20 0.39
ASPH Q12797 1/20 0.39
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 1/20 0.35
ACP1 P24666 1/20 0.35
HTT P42858 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
SCHEMBL16636939 0.87 EPRS1 (0.39) EPRS1NOTUMTAS2R14DAOASPH
SCHEMBL18786852 0.87 PTGS2 (0.41) EPRS1NOTUMTAS2R14DAOASPH
SCHEMBL18786711 0.84 EPRS1 (0.37) EPRS1NOTUMTAS2R14DAOASPH
SCHEMBL31204519 0.81 CA1 (0.44) EPRS1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3369693 0.80 CES2 (0.48) NOTUMASPHAKR1C3AKR1C2LMNA
SCHEMBL22114832 0.80 ASPH (0.40) NOTUMDAOASPHGLRA3GLRB
SCHEMBL28053969 0.80 RXRA (0.41) ASPHGLRA3GLRBLMNAMEN1
SCHEMBL29908006 0.78 GLRA3 (0.41) EPRS1NOTUMTAS2R14DAOASPH
SCHEMBL25111974 0.76 EPRS1 (0.46) EPRS1NOTUMTAS2R14DAOASPH
SCHEMBL30483541 0.76 EPRS1 (0.46) EPRS1NOTUMTAS2R14DAOASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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 (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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 EPRS1 1813/4885NOTUM 4045/4885TAS2R14 3934/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 EPRS1 1771/4885NOTUM 4281/4885TAS2R14 3796/4885

“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.