SCHEMBL764402

SCHEMBL764402

CCCC(CCBr)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
PRKCA P17252 3/20 0.37
TSHR P16473 3/20 0.36
HRH1 P35367 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CHRM1 P11229 2/20 0.33
PRKCD Q05655 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4838071 0.89 TSHR (0.43) CTSKPRKCATSHRHRH1SMN1; SMN2
SCHEMBL25337841 0.85 TSHR (0.37) CTSKPRKCATSHRHRH1SMN1; SMN2
SCHEMBL11622013 0.85 PRKCA (0.43) CTSKPRKCAGLS2FAAHMAPT
SCHEMBL4922117 0.83 TSHR (0.39) PRKCATSHRHRH1SMN1; SMN2MEN1
SCHEMBL4930526 0.83 TSHR (0.39) PRKCATSHRHRH1SMN1; SMN2MEN1
SCHEMBL4922132 0.83 TSHR (0.39) PRKCATSHRHRH1SMN1; SMN2MEN1
SCHEMBL1301058 0.82 TSHR (0.39) CTSKPRKCATSHRHRH1SMN1; SMN2
SCHEMBL28419546 0.81 PRKCA (0.45) CTSKPRKCATSHRHRH1SMN1; SMN2
SCHEMBL4834768 0.81 CTSK (0.50) CTSKPRKCATSHRPRKCDGLS2
SCHEMBL282321 0.80 PRKCA (0.47) CTSKPRKCATSHRHRH1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325169-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2015-10-07 EP 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-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
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 CTSK 388/4885PRKCA 4611/4885TSHR 2779/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI CTSK 388/4885PRKCA 4611/4885TSHR 2779/4885

“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.