SCHEMBL13697154

SCHEMBL13697154

CC1(C)OB(c2ccc(C(=O)O)c(CN=[N+]=[N-])c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
LIPG Q9Y5X9 8/20 0.37
ROCK1 Q13464 1/20 0.36
HIF1A Q16665 3/20 0.36
LPL P06858 7/20 0.35
P4HB P07237 1/20 0.35
DGAT1 O75907 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL12523125 0.86 F11 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL23123642 0.78 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL29817025 0.78 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL4159434 0.77 LIPG (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL20506493 0.75 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL27172173 0.75 LIPG (0.55) F11F2PRSS1PRSS2PRSS3
SCHEMBL29171033 0.74 KDM4E (0.41) F2MCL1CA1CA2CA9
SCHEMBL20768757 0.73 F11 (0.59) F11F2PRSS1PRSS2PRSS3
SCHEMBL458415 0.73 LIPG (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL3201071 0.73 CA1 (0.46) F11F2PRSS1PRSS2PRSS3

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 3 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-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

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 F11 4360/4885F2 4033/4885PRSS1 863/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 F11 4379/4885F2 4235/4885PRSS1 906/4885

“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.