SCHEMBL851430

SCHEMBL851430

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2cc(OCc3cccc(C#N)c3)cc(OCc3cccc(C#N)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
F10 P00742 6/20 0.41
ADAM17 P78536 2/20 0.40
JAK1 P23458 1/20 0.40
MMP1 P03956 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
TP53 P04637 1/20 0.40
F2 P00734 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

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
SCHEMBL852696 0.90 DRD2 (0.47) RORCDRD2F10F2PRSS1
SCHEMBL852006 0.87 F2 (0.53) RORCDRD2KCNH2FFAR1FFAR4
SCHEMBL851317 0.84 FFAR1 (0.51) RORCKCNH2FFAR1FFAR4SIRT2
SCHEMBL851409 0.84 F2 (0.57) F10SIRT2SIRT1SIRT3F2
SCHEMBL851312 0.83 F2 (0.46) DRD2F10JAK1SIRT2SIRT1
SCHEMBL851813 0.81 ST14 (0.53) DRD2KCNH2FFAR1FFAR4F2
SCHEMBL8509771 0.81 DRD2 (0.47) DRD2KDM4DF2PRSS1PRSS2
SCHEMBL851416 0.81 DRD2 (0.47) DRD2KDM4DF2PRSS1PRSS2
SCHEMBL8509807 0.81 DRD2 (0.47) DRD2KDM4DF2PRSS1PRSS2
SCHEMBL851916 0.80 MET (0.49) RORCDRD2KCNH2FFAR1FFAR4

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 RORC 4877/4885DRD2 4749/4885KCNH2 4297/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 RORC 4877/4885DRD2 4749/4885KCNH2 4297/4885

“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.