SCHEMBL4404564

SCHEMBL4404564

CS(=O)(=O)OCC1CCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NOTUM Q6P988 1/20 0.53
HTR7 P34969 5/20 0.47
HTR1A P08908 4/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 4/20 0.44
HTR2C P28335 2/20 0.44
ACACB O00763 2/20 0.44
TP53 P04637 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44

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
SCHEMBL237767 0.85 HRH3 (0.50) ALDH1A1MAPTGAANOTUMHTR7
SCHEMBL15998455 0.82 NOTUM (0.53) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL4407432 0.79 ADORA2B (0.48) MAPTHSD17B10TP53
SCHEMBL25080871 0.78 NOTUM (0.56) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL1010364 0.78 NOTUM (0.62) ALDH1A1MAPTNOTUMHTR7HTR1A
SCHEMBL25081211 0.78 BPTF (0.68) ALDH1A1MAPTTDP1NOTUMHRH3
SCHEMBL1060399 0.76 CA12 (0.50) MAPTHTR7HSD17B10TP53DRD2
SCHEMBL7293545 0.76 GRM2 (0.62) MAPTGAAPOLB
SCHEMBL1410310 0.75 NOTUM (0.66) ALDH1A1L3MBTL1NOTUMHRH3POLB
SCHEMBL15261159 0.74 MAPT (0.51) ALDH1A1MAPTKDM4EGAAALOX15

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
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
CN-102015712-A Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT LTD 2011-04-13 CN disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 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 (1 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-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA1 ALDH1A1 551/4885MAPT 1221/4885KDM4E 4150/4885

“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.