SCHEMBL851900

SCHEMBL851900

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(OCc3cccc(Br)c3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 12/20 0.51
F2 P00734 10/20 0.51
PRSS1 P07477 9/20 0.51
PRSS2 P07478 9/20 0.51
PRSS3 P35030 9/20 0.51
MAOB P27338 2/20 0.43
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
DRD2 P14416 1/20 0.41
SMPD1 P17405 1/20 0.40
PLG P00747 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPC1 O15118 1/20 0.39

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 0.93 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851057 0.91 ST14 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509922 0.91 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851598 0.90 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851656 0.90 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852305 0.89 NPC1 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851131 0.88 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509724 0.88 ST14 (0.49) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851281 0.87 ST14 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852006 0.86 F2 (0.53) ST14F2PRSS1PRSS2PRSS3

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 ST14 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885PRSS1 3/4885

“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.