SCHEMBL852068

SCHEMBL852068

CCOC(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(CN)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.49
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 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
SCHEMBL851271 0.91 PARP15 (0.53) PARP15PARP10PARP2MAPTTDP1
SCHEMBL851619 0.87 RAB9A (0.58) PARP15PARP10PARP2MAPTTDP1
SCHEMBL851126 0.84 CA12 (0.56) PARP15PARP10PARP2MAPTTDP1
SCHEMBL851554 0.82 FFAR1 (0.53) RAB9ASMN1; SMN2PKMCYP11B1CYP11B2
SCHEMBL31868 0.81 LMNA (0.57) ST14LOXL2MAPTTDP1PRSS1
SCHEMBL851528 0.80 FFAR1 (0.52) PARP15PARP10PARP2MAPTTDP1
SCHEMBL851273 0.80 PPARG (0.49) MAPTTDP1ELANEKMT2AL3MBTL1
SCHEMBL8513184 0.80 F10 (0.50) MAPTTDP1PRSS1ELANEF2
SCHEMBL850959 0.80 EPHX2 (0.44) MAPTTDP1KDM4ERAB9AELANE
SCHEMBL851195 0.79 F2 (0.58) PARP15PARP10PARP2MAPTTDP1

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 216/4885PARP15 118/4885PARP10 309/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885PARP15 118/4885PARP10 309/4885

“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.