SCHEMBL765074

SCHEMBL765074

CC(=O)O[C@H](C)CCCCn1ccc2cc(Br)ccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ NTSR1 P30989 1/20 0.46
▸ HTR7 P34969 3/20 0.42
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KRAS P01116 6/20 0.39
▸ ACLY P53396 2/20 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
SCHEMBL764347 0.81 HTR2A (0.56) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL15423256 0.81 HTR2A (0.58) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL22930053 0.77 HTR2A (0.60) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL8005045 0.74 HTR2A (0.63) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL18856950 0.74 HTR2A (0.55) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL416378 0.73 ALOX5 (0.49) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL15550237 0.73 HTR2A (0.54) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL22930065 0.73 HTR2A (0.54) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL28550149 0.73 HTR2A (0.54) HTR2AHTR2CNTSR1HTR7PLG
SCHEMBL4939152 0.72 HTR2A (0.56) HTR2AHTR2CNTSR1HTR7PLG

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-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 — — US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 — — US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 — — US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 — — US disclosed
EP-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 — — EP disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 — — EP disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 — — US disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 — — US disclosed
WO-2007027719-A2 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-03-08 — — 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI HTR2A 917/4885HTR2C 822/4885NTSR1 446/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI HTR2A 917/4885HTR2C 822/4885NTSR1 446/4885

“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.

Send feedback