SCHEMBL765775

SCHEMBL765775

C[C@@H](O)CCCCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.64
PTGS2 P35354 2/20 0.64
PIM1 P11309 1/20 0.59
KDM1A O60341 11/20 0.56
SIGMAR1 Q99720 3/20 0.56
SLC22A1 O15245 1/20 0.56
PRNP P04156 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
TSHR P16473 1/20 0.56
ADRA2B P18089 1/20 0.56

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
SCHEMBL15423268 0.87 PIM1 (0.63) PTGS1PTGS2PIM1KDM1ASIGMAR1
SCHEMBL29022154 0.86 PIM1 (0.61) PTGS1PTGS2PIM1KDM1ASIGMAR1
SCHEMBL208025 0.81 PIM1 (0.79) PIM1KDM1ASIGMAR1SLC22A1PRNP
SCHEMBL764376 0.79 HTR1A (0.50) PTGS1PTGS2SIGMAR1CHRM2HTR1A
SCHEMBL10046428 0.79 KDM1A (0.51) PTGS1PTGS2PIM1KDM1ASIGMAR1
SCHEMBL718878 0.78 PIM1 (0.69) PIM1KDM1ASIGMAR1SLC22A1PRNP
SCHEMBL9396083 0.78 PTGS1 (1.00) PTGS1PTGS2KDM1ASIGMAR1SLC22A1
SCHEMBL6859120 0.78 PIM1 (0.69) PIM1KDM1ASIGMAR1SLC22A1PRNP
SCHEMBL31298153 0.78 PTGS1 (1.00) PTGS1PTGS2KDM1ASIGMAR1SLC22A1
SCHEMBL764371 0.78 HTR2A (0.57) PTGS2SIGMAR1SLC22A1PRNPTP53

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 12 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-1919867-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2011-08-17 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 PTGS1 2040/4885PTGS2 2625/4885PIM1 4759/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI PTGS1 2040/4885PTGS2 2625/4885PIM1 4759/4885

“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.