SCHEMBL851437

SCHEMBL851437

CC(C)(C)OC(=O)NCCCN1CCC(NC(=O)c2cc(Oc3ccc(C(=N)NO)cc3)nc(Oc3ccc(C(=N)NO)cc3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.61
F2 P00734 4/20 0.61
F10 P00742 2/20 0.61
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
POLB P06746 1/20 0.43
DRD4 P21917 3/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HPGDS O60760 1/20 0.41
PRKAA2 P54646 1/20 0.40
DRD2 P14416 2/20 0.40
SLC6A5 Q9Y345 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PLG P00747 1/20 0.40

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
SCHEMBL851338 0.91 ST14 (0.74) ST14F2F10PRSS1PRSS2
SCHEMBL860982 0.88 F2 (0.58) ST14F2F10PRSS1PRSS2
SCHEMBL851643 0.86 F2 (0.55) ST14F2F10PRSS1PRSS2
SCHEMBL851858 0.85 ST14 (0.58) ST14F2F10PRSS1PRSS2
SCHEMBL851872 0.79 PRSS1 (0.57) ST14F2F10PRSS1PRSS2
SCHEMBL851830 0.78 ST14 (0.54) ST14F2F10PRSS1PRSS2
SCHEMBL851940 0.76 ST14 (0.64) ST14F2F10PRSS1PRSS2
SCHEMBL851302 0.75 F2 (0.45) ST14F2F10PRSS1PRSS2
SCHEMBL852162 0.75 ST14 (0.74) ST14F2F10PRSS1PRSS2
SCHEMBL851206 0.75 ST14 (0.58) ST14F2F10PRSS1PRSS2

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

“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.