SCHEMBL742447

SCHEMBL742447

N[C@@H](CC1CCC1)C(O)C(=O)NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 15/20 0.52
METAP1 P53582 7/20 0.51
KMT2A Q03164 1/20 0.41
REN P00797 1/20 0.39
CPB2 Q96IY4 2/20 0.38
EPHX1 P07099 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
SCHEMBL842176 1.00 METAP2 (0.52) METAP2METAP1KMT2ARENCPB2
SCHEMBL2012212 1.00 METAP2 (0.52) METAP2METAP1KMT2ARENCPB2
Hydrochloric Acid SCHEMBL744909 0.98 METAP2 (0.51) METAP2METAP1KMT2ARENCPB2
Hydrochloric Acid SCHEMBL14973792 0.94 METAP2 (0.56) METAP2METAP1KMT2ARENCPB2
SCHEMBL7351340 0.94 METAP2 (0.56) METAP2METAP1KMT2ARENCPB2
SCHEMBL10260851 0.93 METAP2 (0.48) METAP2METAP1KMT2AREN
SCHEMBL8135701 0.93 METAP2 (0.48) METAP2METAP1KMT2AREN
Hydrochloric Acid SCHEMBL7361763 0.92 METAP2 (0.54) METAP2METAP1KMT2ARENCPB2
SCHEMBL7353062 0.92 METAP2 (0.57) METAP2METAP1KMT2ARENCPB2
SCHEMBL7354579 0.92 METAP2 (0.57) METAP2METAP1KMT2ARENCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 EP disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 EP disclosed
US-20100266537-A1 HCV INHIBITORS VIROBAY, INC. (US) 2010-10-21 US disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 WO disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 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-20100266537-A1 HCV INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1 METAP2 720/4885METAP1 283/4885KMT2A 4118/4885
US-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 METAP2 668/4885METAP1 254/4885KMT2A 4134/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 METAP2 1073/4885METAP1 560/4885KMT2A 3288/4885

“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.