SCHEMBL2243603

SCHEMBL2243603

CS(=O)(=O)N1CCc2nc(C=O)ncc2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
JAK2 O60674 6/20 0.36
JAK3 P52333 6/20 0.36
HRH3 Q9Y5N1 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SYK P43405 1/20 0.33
CNR2 P34972 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
SCHEMBL13003704 0.81 HSP90AA1 (0.44) NPC1RAB9AESR1ESR2JAK2
SCHEMBL720663 0.81 HSP90AA1 (0.46) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2181393 0.80 ESR1 (0.41) NPC1RAB9AESR1ESR2JAK2
SCHEMBL720364 0.80 ESR1 (0.48) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2246755 0.80 ESR1 (0.41) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2249696 0.80 PDGFRB (0.47) NPC1RAB9AESR1ESR2PIK3R1
SCHEMBL12413626 0.78 NPC1 (0.40) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2243486 0.78 NPC1 (0.40) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2246205 0.77 ESR1 (0.42) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2245827 0.77 NPC1 (0.39) NPC1RAB9AESR1ESR2JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
EP-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 NPC1 376/4885RAB9A 927/4885ESR1 404/4885

“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.