SCHEMBL851603

SCHEMBL851603

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
GPR119 Q8TDV5 4/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
S1PR2 O95136 2/20 0.51
F2 P00734 4/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
ST14 Q9Y5Y6 4/20 0.48
PLG P00747 3/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
STS P08842 3/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 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
SCHEMBL8509553 0.86 F2 (0.52) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL852205 0.84 F2 (0.51) PTPN2PTPN1PTPN6GPR119S1PR2
SCHEMBL8509771 0.83 DRD2 (0.47) GPR119RAB9AS1PR2F2PRSS1
SCHEMBL8509807 0.83 DRD2 (0.47) GPR119RAB9AS1PR2F2PRSS1
SCHEMBL851416 0.83 DRD2 (0.47) GPR119RAB9AS1PR2F2PRSS1
SCHEMBL851673 0.82 GPR119 (0.57) GPR119NPC1RAB9AS1PR2F2
SCHEMBL852001 0.82 F2 (0.60) RAB9AS1PR2F2PRSS1PRSS2
SCHEMBL8509703 0.81 F2 (0.67) NPC1RAB9AS1PR2F2PRSS1
SCHEMBL851809 0.81 F2 (0.67) NPC1RAB9AS1PR2F2PRSS1
SCHEMBL851253 0.81 F2 (0.52) RAB9AS1PR2F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PTPN2 3273/4885PTPN1 2266/4885PTPN6 2767/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PTPN2 3273/4885PTPN1 2266/4885PTPN6 2767/4885

“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.