SCHEMBL764367

SCHEMBL764367

CC(=O)O[C@H](C)CCCCn1nc(OCCCC[C@@H](C)O)c2cccc(F)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
KAT2B Q92831 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31
GPR139 Q6DWJ6 3/20 0.31
MAPT P10636 1/20 0.31
AKR1B1 P15121 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PPARG P37231 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL12657817 1.00 KMT2A (0.34) KMT2AACHEBCHEKAT2BHTR2A
SCHEMBL765569 1.00 KMT2A (0.34) KMT2AACHEBCHEKAT2BHTR2A
SCHEMBL764385 0.96 KMT2A (0.36) KMT2AACHEBCHEKAT2BHTR2A
SCHEMBL765570 0.92 KMT2A (0.37) KMT2AACHEBCHEKAT2BHTR2A
SCHEMBL10046421 0.87 KAT2B (0.39) KMT2AKAT2BMAPTALDH1A1PPARG
SCHEMBL765562 0.87 KAT2B (0.39) KMT2AKAT2BMAPTALDH1A1PPARG
SCHEMBL765129 0.83 KAT2B (0.42) KMT2AKAT2BMAPTALDH1A1
SCHEMBL765580 0.81 CNR1 (0.31) ACHECNR1CNR2
SCHEMBL764377 0.81 CNR1 (0.31) ACHECNR1CNR2
SCHEMBL10046422 0.79 KAT2B (0.36) KMT2AKAT2BMAPTALDH1A1

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 10 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-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-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

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 KMT2A 2042/4885ACHE 61/4885BCHE 155/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI KMT2A 2042/4885ACHE 61/4885BCHE 155/4885

“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.