SCHEMBL8293449

SCHEMBL8293449

C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@H](OS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)N[C@]1(C(=O)OC)C[C@H]1C=C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.41
PPP3CB P16298 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
SCHEMBL14159063 1.00 CTSB (0.41) CTSBPPP3CB
SCHEMBL13051897 1.00 CTSB (0.41) CTSBPPP3CB
SCHEMBL14588795 0.94
SCHEMBL8281563 0.94 CTSB (0.43) CTSBPPP3CB
SCHEMBL13981170 0.93
SCHEMBL6877935 0.91 CYP3A4 (0.43) CTSBPPP3CB
SCHEMBL10060996 0.91 CYP3A4 (0.43) CTSBPPP3CB
SCHEMBL10052378 0.91 CYP3A4 (0.43) CTSBPPP3CB
SCHEMBL16508713 0.91 CYP3A4 (0.43) CTSBPPP3CB
SCHEMBL12809028 0.89 CTSB (0.35) CTSBPPP3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687021-B1 METHOD OF REMOVING TRANSITION METALS, ESPECIALLY FROM METATHESIS REACTION PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP 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-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-7642235-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642235-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
EP-1699558-B1 REMOVAL OF RUTHENIUM BY-PRODUCT BY SUPERCRITICAL FLUID PROCESSING BOEHRINGER INGELHEIM INT (DE) 2009-03-11 EP disclosed
US-7449591-B2 Process of removing transition metals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-11 US disclosed
US-7268211-B2 Removal of ruthenium by-product by supercritical fluid processing BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-11 US disclosed
US-7268211-B2 Removal of ruthenium by-product by supercritical fluid processing BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-11 US disclosed
US-7241898-B2 Metathesis catalysts BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241898-B2 Metathesis catalysts BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7189844-B2 Ring-closing metathesis process in supercritical fluid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-13 US disclosed
US-7189844-B2 Ring-closing metathesis process in supercritical fluid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-13 US disclosed
US-7183374-B2 Method of removing transition metals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US disclosed
US-7183374-B2 Method of removing transition metals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US disclosed
WO-2005028501-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 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-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS CTRL, RPP30, RNASE1 CTSB 177/4885PPP3CB 1178/4885
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS CTRL, RNPEP, RNASE1 CTSB 98/4885PPP3CB 443/4885

“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.