SCHEMBL1799225

SCHEMBL1799225

O=C(OC1CCCCC1)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NAAA Q02083 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL561595 0.98 EPHX1 (0.39) EPHX1MMP1MMP9MMP12SMN1; SMN2
SCHEMBL525096 0.95 EPHX1 (0.35) EPHX1MMP1MMP9MMP12SMN1; SMN2
SCHEMBL20469204 0.91 CCNE1 (0.38) CCNE1CDK2GSK3BFAAHMGLL
SCHEMBL20629735 0.88 SMN1; SMN2 (0.37) EPHX1SMN1; SMN2CYP2C19TSHRCYP3A4
SCHEMBL19447858 0.86 CCNE1 (0.35) EPHX1SMN1; SMN2CYP2C19TSHRCYP3A4
SCHEMBL1300093 0.85 CCNE1 (0.34) EPHX1MMP1MMP9MMP12CCNE1
SCHEMBL27365535 0.85 CCNE1 (0.34) EPHX1MMP1MMP9MMP12CCNE1
SCHEMBL31736019 0.85 CCNE1 (0.34) EPHX1MMP1MMP9MMP12CCNE1
SCHEMBL1300090 0.85 CCNE1 (0.34) EPHX1MMP1MMP9MMP12CCNE1
SCHEMBL27385617 0.85 CCNE1 (0.34) EPHX1MMP1MMP9MMP12CCNE1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
EP-2027143-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
WO-2004022554-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-18 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 (3 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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 EPHX1 1875/4885MMP1 127/4885MMP9 146/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R EPHX1 1358/4885MMP1 4637/4885MMP9 3060/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 EPHX1 1875/4885MMP1 127/4885MMP9 146/4885

“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.