SCHEMBL8250591

SCHEMBL8250591

CCOC(=O)C/C(=N/c1cccc(OC)c1Br)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 4/20 0.37
▸ PRNP P04156 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ PLIN1 O60240 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PLIN5 Q00G26 1/20 0.36
▸ ABHD5 Q8WTS1 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 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
SCHEMBL8191757 0.87 GAA (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3370394 0.87 GAA (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3370395 0.87 GAA (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8243277 0.87 GAA (0.47) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8278752 0.85 TSHR (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL15483737 0.77 NLRP3 (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL6877325 0.77 TSHR (0.40) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9605465 0.75 SIGMAR1 (0.46) GAAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL8203437 0.74 ALDH1A1 (0.43) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8271670 0.74 NLRP3 (0.46) GAAALDH1A1KDM4EMAPTALOX12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730167-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 — — EP disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 — — US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 — — US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 — — US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 — — WO disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 — — WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 — — WO disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 — — 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP GAA 1782/4885ALDH1A1 1136/4885KDM4E 3511/4885
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS CTRL, RNPEP, RNASE1 GAA 1531/4885ALDH1A1 3097/4885KDM4E 2928/4885
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC GAA 2097/4885ALDH1A1 1794/4885KDM4E 1807/4885

“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.

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