SCHEMBL1068683

SCHEMBL1068683

C=CCCCOC1CCN(C(=O)N[C@H](C(=O)O)C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.34
PRSS1 P07477 7/20 0.34
CTSS P25774 1/20 0.33
NAMPT P43490 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
LSS P48449 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1073190 0.94 REN (0.33) F2PRSS1CTSSNAMPTMMP1
SCHEMBL3304630 0.93 REN (0.31) F2PRSS1CTSSNAMPTMMP1
SCHEMBL3309650 0.93 REN (0.31) F2PRSS1CTSSNAMPTMMP1
SCHEMBL20309960 0.90 LSS (0.34) F2PRSS1CTSSNAMPTLSS
SCHEMBL1072629 0.90 ALDH1A1 (0.33) CTSSALDH1A1NPSR1GAA
SCHEMBL20292517 0.90 ALDH1A1 (0.33) CTSSALDH1A1NPSR1GAA
SCHEMBL12963756 0.87 REN (0.34) CTSSGAA
SCHEMBL1071682 0.81 MMP13 (0.35) MMP1MMP13
SCHEMBL1072401 0.81 MMP13 (0.35) MMP1MMP13
SCHEMBL1071581 0.80 REN (0.34) CTSSMMP1MMP13ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC F2 1303/4885PRSS1 20/4885CTSS 65/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC F2 1303/4885PRSS1 20/4885CTSS 65/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 F2 612/4885PRSS1 183/4885CTSS 63/4885

“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.