SCHEMBL851779

SCHEMBL851779

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 11/20 0.51
F2 P00734 10/20 0.51
PRSS1 P07477 8/20 0.51
PRSS2 P07478 8/20 0.51
PRSS3 P35030 8/20 0.51
PLG P00747 5/20 0.51
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
DRD2 P14416 1/20 0.43
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.38
S1PR2 O95136 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL851780 1.00 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851416 0.94 DRD2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509807 0.94 DRD2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509771 0.94 DRD2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8508889 0.92 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8508891 0.92 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8510724 0.89 DRD2 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL860729 0.89 DRD2 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852130 0.89 F2 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852129 0.89 F2 (0.44) 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.