SCHEMBL851673

SCHEMBL851673

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.57
ST14 Q9Y5Y6 7/20 0.56
PRSS1 P07477 5/20 0.56
PRSS2 P07478 5/20 0.56
PRSS3 P35030 5/20 0.56
PLG P00747 3/20 0.56
ALDH1A1 P00352 1/20 0.48
HDAC4 P56524 1/20 0.47
S1PR2 O95136 1/20 0.46
F2 P00734 6/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
EPHX1 P07099 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PARP1 P09874 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL851208 0.91 GPR119 (0.53) GPR119ST14PRSS1PRSS2PRSS3
SCHEMBL851653 0.87 ST14 (0.74) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851530 0.85 ST14 (0.52) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850947 0.83 ST14 (0.55) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851603 0.82 PTPN2 (0.58) GPR119ST14PRSS1PRSS2PRSS3
SCHEMBL851458 0.82 GPR119 (0.55) GPR119ALDH1A1S1PR2
SCHEMBL851830 0.82 ST14 (0.54) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851366 0.81 ST14 (0.50) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851954 0.81 ST14 (0.48) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851641 0.81 ST14 (0.47) ST14PRSS1PRSS2PRSS3PLG

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 GPR119 3130/4885ST14 216/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885ST14 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.