SCHEMBL851819

SCHEMBL851819

CCN(CC)C(=O)c1cc(Oc2ccc(C(=N)NO)cc2)cc(Oc2ccc(C(=N)NO)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ST14 Q9Y5Y6 2/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 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
SCHEMBL8514698 0.84 ST14 (0.64) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851791 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DST14
SCHEMBL3793330 0.77 ST14 (0.71) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851666 0.77 PARP15 (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL851902 0.73 ST14 (0.59) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851104 0.73 F2 (0.41) PDE4APDE4BPDE4CPDE4DST14
SCHEMBL851627 0.72 ALDH1A1 (0.59) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3786207 0.72 ST14 (0.67) ST14F2PRSS1PRSS2PRSS3
SCHEMBL1520159 0.70 HPGD (0.56) HPGDALDH1A1LMNAMAPTHSP90AA1
SCHEMBL3793327 0.69 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3

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 PDE4A 2192/4885PDE4B 1929/4885PDE4C 3023/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PDE4A 2192/4885PDE4B 1929/4885PDE4C 3023/4885

“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.