SCHEMBL720663

SCHEMBL720663

COc1ncc2c(n1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.46
HSP90B1 P14625 4/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
RYR2 Q92736 1/20 0.39
CA7 P43166 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
PDGFRB P09619 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 0.81 HSP90AA1 (0.44) HSP90AA1HSP90B1NPC1RAB9AESR1
SCHEMBL2243603 0.81 NPC1 (0.40) NPC1RAB9AESR1ESR2JAK2
SCHEMBL2181393 0.80 ESR1 (0.41) HSP90AA1NPC1RAB9AESR1ESR2
SCHEMBL720364 0.80 ESR1 (0.48) HSP90AA1HSP90B1NPC1RAB9AESR1
SCHEMBL2249696 0.80 PDGFRB (0.47) NPC1RAB9AESR1ESR2PDGFRB
SCHEMBL2246755 0.80 ESR1 (0.41) NPC1RAB9AESR1ESR2JAK2
SCHEMBL12706723 0.78 HSP90AA1 (0.47) HSP90AA1HSP90B1
SCHEMBL2243486 0.78 NPC1 (0.40) NPC1RAB9AESR1ESR2JAK2
SCHEMBL12413626 0.78 NPC1 (0.40) HSP90AA1HSP90B1NPC1RAB9AESR1
SCHEMBL2246205 0.77 ESR1 (0.42) 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 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 HSP90AA1 1856/4885HSP90B1 2054/4885NPC1 376/4885
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR HSP90AA1 2957/4885HSP90B1 2574/4885NPC1 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.