SCHEMBL851645

SCHEMBL851645

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3)nc2Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.52
F10 P00742 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
GPR119 Q8TDV5 3/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PARP1 P09874 3/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HDAC4 P56524 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 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
SCHEMBL851535 0.87 F2 (0.53) F2F10ST14PRSS1PRSS2
SCHEMBL852322 0.87 F10 (0.56) F2F10ST14GPR119PRSS1
SCHEMBL851208 0.85 GPR119 (0.53) F2F10ST14GPR119PRSS1
SCHEMBL850901 0.84 GPR119 (0.49) F10ST14GPR119PRSS1PRSS2
SCHEMBL851302 0.84 F2 (0.45) F2F10ST14PRSS1PRSS2
SCHEMBL851787 0.81 F2 (0.56) F2F10ST14PRSS1PRSS2
SCHEMBL851673 0.81 GPR119 (0.57) F2ST14GPR119PRSS1PRSS2
SCHEMBL851402 0.78 F10 (0.53) F2F10ST14GPR119PRSS1
SCHEMBL851053 0.75 F10 (0.51) F2F10ST14PRSS1PRSS2
SCHEMBL851176 0.75 F10 (0.49) F2F10ST14GPR119PRSS1

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 112/4885F10 152/4885ST14 216/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885F10 152/4885ST14 216/4885

“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.