SCHEMBL851777

SCHEMBL851777

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
CHRM4 P08173 8/20 0.38
PRKAA2 P54646 2/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.36
F2 P00734 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL862041 1.00 F10 (0.48) F10ST14PRSS1PRSS2PRSS3
SCHEMBL851402 0.95 F10 (0.53) F10ST14PRSS1PRSS2PRSS3
SCHEMBL851176 0.93 F10 (0.49) F10ST14PRSS1PRSS2PRSS3
SCHEMBL852023 0.85 CHRM2 (0.40) F10ST14PRSS1PRSS2PRSS3
SCHEMBL850860 0.83 SIGMAR1 (0.43) F10ST14PRSS1PRSS2PRSS3
SCHEMBL851532 0.81 PRSS1 (0.51) F10ST14PRSS1PRSS2PRSS3
SCHEMBL852322 0.78 F10 (0.56) F10ST14PRSS1PRSS2PRSS3
SCHEMBL851914 0.78 PRSS1 (0.50) F10ST14PRSS1PRSS2PRSS3
SCHEMBL850901 0.77 GPR119 (0.49) F10ST14PRSS1PRSS2PRSS3
SCHEMBL851545 0.77 PRSS1 (0.47) F10ST14PRSS1PRSS2PRSS3

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 F10 152/4885ST14 216/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885ST14 216/4885PRSS1 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.