SCHEMBL765484

SCHEMBL765484

CC(=O)O[C@H](C)CCCCN1c2ccccc2Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
P2RX4 Q99571 6/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
HDAC4 P56524 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
HDAC1 Q13547 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL764364 0.83 POLB (0.55) MEN1KMT2ASMPD1ALDH1A1
SCHEMBL10046533 0.83 MTNR1A (0.50) P2RX4MEN1KMT2AHDAC8SIGMAR1
SCHEMBL10046428 0.82 KDM1A (0.51) PIM1MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL764397 0.82 SLC6A4 (0.48) MEN1KMT2ATDP1PPARGSMPD1
SCHEMBL765581 0.79 PIM1 (0.55) PIM1P2RX4MEN1KMT2ATDP1
SCHEMBL15423264 0.79 PIM1 (0.58) PIM1P2RX4MEN1KMT2ATDP1
SCHEMBL12444143 0.76 PIM1 (0.52) PIM1P2RX4MEN1KMT2ATDP1
SCHEMBL27207166 0.73 NPC1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL27203457 0.73 NPC1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL765767 0.72 FABP4 (0.52) HDAC1HDAC6SIGMAR1

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 PIM1 4759/4885P2RX4 1032/4885MEN1 3617/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI PIM1 4759/4885P2RX4 1032/4885MEN1 3617/4885

“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.