SCHEMBL851104

SCHEMBL851104

CCOC(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)OCC)cc3)cc(C(=O)N(CC(C)C)CC(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
MLYCD O95822 2/20 0.41
LPAR1 Q92633 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
PLG P00747 1/20 0.39
MCL1 Q07820 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL851902 0.84 ST14 (0.59) F2MLYCDLPAR1LPAR5PRSS1
SCHEMBL851634 0.78 PARP15 (0.48) F2MLYCDLPAR1LPAR5ALDH1A1
SCHEMBL8514698 0.75 ST14 (0.64) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851819 0.73 PDE4A (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851791 0.71 PDE4A (0.43) F2MLYCDPRSS1PRSS2PRSS3
SCHEMBL8995027 0.70 NPC1 (0.54) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL3739816 0.70 LTA4H (0.53) F2ALDH1A1NPC1LMNAMAPT
Hydrochloric Acid SCHEMBL3739815 0.69 LTA4H (0.52) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL851666 0.68 PARP15 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8994960 0.68 LMNA (0.50) PRSS1ALDH1A1NPC1LMNAMAPT

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 112/4885MLYCD 4283/4885LPAR1 3053/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885MLYCD 4283/4885LPAR1 3053/4885

“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.