SCHEMBL10046428

SCHEMBL10046428

CC(=O)O[C@H](C)CCCCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.51
PIM1 P11309 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.48
HTR1A P08908 3/20 0.48
ADRA2A P08913 3/20 0.48
DRD2 P14416 3/20 0.48
DRD1 P21728 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1A P35348 3/20 0.48
DRD3 P35462 3/20 0.48
KCNH2 Q12809 3/20 0.48
PRNP P04156 2/20 0.48
CYP1A2 P05177 2/20 0.48
CHRM2 P08172 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM1 P11229 2/20 0.48

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
SCHEMBL10046533 0.83 MTNR1A (0.50) MEN1KMT2AHTR1AADRA2ADRD2
SCHEMBL765484 0.82 PIM1 (0.51) PIM1MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL764397 0.82 SLC6A4 (0.48) MEN1KMT2ALMNAMAPTHTR1A
SCHEMBL765775 0.79 PTGS1 (0.64) KDM1APIM1MEN1KMT2ALMNA
SCHEMBL15423268 0.79 PIM1 (0.63) KDM1APIM1LMNAMAPTHTR1A
SCHEMBL29022154 0.78 PIM1 (0.61) KDM1APIM1LMNAMAPTHTR1A
SCHEMBL764364 0.74 POLB (0.55) MEN1KMT2ADRD2CHRM1TSHR
SCHEMBL208025 0.73 PIM1 (0.79) KDM1APIM1MEN1KMT2ALMNA
SCHEMBL27203457 0.73 NPC1 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27207166 0.73 NPC1 (0.48) MEN1KMT2AMAPTSMN1; SMN2

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 KDM1A 3457/4885PIM1 4759/4885MEN1 3617/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI KDM1A 3457/4885PIM1 4759/4885MEN1 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.