SCHEMBL852006

SCHEMBL852006

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(OCc3cccc(C#N)c3)cc(OCc3cccc(C#N)c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.53
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
ST14 Q9Y5Y6 4/20 0.53
BRD4 O60885 1/20 0.47
DRD2 P14416 1/20 0.46
SPHK1 Q9NYA1 2/20 0.44
FFAR1 O14842 2/20 0.44
SPHK2 Q9NRA0 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4D Q6B0I6 1/20 0.43
RORC P51449 1/20 0.43
MCHR1 Q99705 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL851813 0.94 ST14 (0.53) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8511761 0.89 ST14 (0.53) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851916 0.87 MET (0.49) BRD4DRD2FFAR1FFAR4KCNH2
SCHEMBL851430 0.87 RORC (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509922 0.86 ST14 (0.53) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851900 0.86 ST14 (0.51) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851656 0.86 ST14 (0.51) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851598 0.85 ST14 (0.57) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509724 0.84 ST14 (0.49) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852033 0.83 ST14 (0.49) F2PRSS1PRSS2PRSS3ST14

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 F2 112/4885PRSS1 3/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885PRSS1 3/4885PRSS2 23/4885

“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.