SCHEMBL720364

SCHEMBL720364

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
HSP90AA1 P07900 7/20 0.37
HSP90B1 P14625 3/20 0.37
HSP90AB1 P08238 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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 0.84 HSP90AA1 (0.44) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2181393 0.82 ESR1 (0.41) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2249696 0.82 PDGFRB (0.47) ESR1ESR2NPC1RAB9AHSP90AB1
SCHEMBL2246755 0.82 ESR1 (0.41) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2246205 0.82 ESR1 (0.42) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL720663 0.80 HSP90AA1 (0.46) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2243486 0.80 NPC1 (0.40) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL12413626 0.80 NPC1 (0.40) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2243603 0.80 NPC1 (0.40) ESR1ESR2NPC1RAB9AJAK2
SCHEMBL2245827 0.79 NPC1 (0.39) ESR1ESR2NPC1RAB9AJAK2

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
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
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
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 (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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ESR1 404/4885ESR2 140/4885NPC1 376/4885
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR ESR1 927/4885ESR2 679/4885NPC1 684/4885

“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.