SCHEMBL1240002

SCHEMBL1240002

CCCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.55
LPL P06858 7/20 0.55
F11 P03951 3/20 0.46
HIF1A Q16665 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
ESR2 Q92731 1/20 0.40
P4HB P07237 1/20 0.39

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
SCHEMBL1239924 0.92 LIPG (0.56) LIPGLPLF11HIF1AF2
SCHEMBL10228 0.89 LIPG (0.54) LIPGLPLF11HIF1AF2
SCHEMBL1238076 0.88 LIPG (0.47) LIPGLPLF11HIF1AF2
SCHEMBL1240034 0.85 ALDH1A1 (0.56) LIPGLPLF11F2PRSS1
SCHEMBL12989381 0.85 LIPG (0.50) LIPGLPLF11F2PRSS1
SCHEMBL1240838 0.83 TSHR (0.60) LIPGLPLF11F2PRSS1
SCHEMBL481948 0.82 LIPG (0.53) LIPGLPLF11HIF1AF2
SCHEMBL1240538 0.82 LIPG (0.47) LIPGLPLF11HIF1AF2
SCHEMBL1239997 0.81 ALDH1A1 (0.60) LIPGLPLF11F2PRSS1
SCHEMBL1239896 0.80 LIPG (0.44) LIPGLPLF11F2PRSS1

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
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2467377-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-28 EP disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 US disclosed
EP-2467377-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-04-21 US disclosed
WO-2011022508-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 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 (3 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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 LIPG 1777/4885LPL 2113/4885F11 4750/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 LIPG 1775/4885LPL 2014/4885F11 4773/4885
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 LIPG 1777/4885LPL 2113/4885F11 4750/4885

“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.