SCHEMBL4407432

SCHEMBL4407432

CS(=O)(=O)OCC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GRM2 Q14416 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4406453 0.89 ADORA2B (0.44) ADORA2BSMN1; SMN2LMNANPC1TP53
SCHEMBL9659383 0.82 SMN1; SMN2 (0.51) ADORA2BSMN1; SMN2LMNANPC1TP53
SCHEMBL1065200 0.81 SMN1; SMN2 (0.50) ADORA2BSMN1; SMN2LMNANPC1TP53
SCHEMBL13592654 0.80 SMN1; SMN2 (0.51) ADORA2BSMN1; SMN2LMNA
SCHEMBL10459937 0.80 SMN1; SMN2 (0.51) ADORA2BSMN1; SMN2LMNANPC1TP53
SCHEMBL7293545 0.79 GRM2 (0.62) MAPTGRM2
SCHEMBL4404564 0.79 ALDH1A1 (0.54) TP53MAPTHSD17B10
SCHEMBL6036922 0.78 GRM2 (0.39) ADORA2BGRM2HSD17B10CA12CA1
SCHEMBL6036913 0.78 GRM2 (0.39) ADORA2BGRM2HSD17B10CA12CA1
SCHEMBL4406118 0.78 SMN1; SMN2 (0.49) ADORA2BSMN1; SMN2LMNA

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 10 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
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 ADORA2B 4/4885SMN1; SMN2 3103/4885LMNA 2164/4885

“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.