SCHEMBL851738

SCHEMBL851738

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(Oc3ccc(C#N)cn3)cc(Oc3ccc(C#N)cn3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.46
DRD2 P14416 1/20 0.45
KDM4D Q6B0I6 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
HSD11B1 P28845 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
BTK Q06187 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL851530 0.86 ST14 (0.52) DRD2KDM4DNPC1RAB9AF2
SCHEMBL851689 0.84 F2 (0.52) DRD2KDM4DNPC1RAB9AF2
SCHEMBL851180 0.83 ST14 (0.59) IRAK4DRD2F2PLGPRSS1
SCHEMBL23207710 0.82 DPP4 (0.52) IRAK4DRD2KDM4DAAK1HSD11B1
SCHEMBL21522521 0.82 DPP4 (0.52) IRAK4DRD2KDM4DAAK1HSD11B1
SCHEMBL851366 0.82 ST14 (0.50) DRD2NPC1RAB9AF2PLG
SCHEMBL851954 0.82 ST14 (0.48) DRD2KDM4DNPC1RAB9AF2
SCHEMBL850947 0.82 ST14 (0.55) DRD2KDM4DNPC1RAB9AF2
SCHEMBL851641 0.81 ST14 (0.47) DRD2KDM4DNPC1RAB9AF2
SCHEMBL851737 0.81 ST14 (0.57) DRD2NPC1RAB9AF2PLG

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 IRAK4 3774/4885DRD2 4749/4885KDM4D 2090/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 IRAK4 3774/4885DRD2 4749/4885KDM4D 2090/4885

“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.