SCHEMBL3306727

SCHEMBL3306727

C=CCCCCOC(=O)N[C@@H](CCCC)C(=O)N1C[C@H](Oc2ccccc2CC=C)C[C@H]1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
PRCP P42785 1/20 0.34
CTSK P43235 7/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSL P07711 4/20 0.32
CTSS P25774 4/20 0.32
CTSV O60911 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
TGM2 P21980 1/20 0.31
CTSB P07858 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
SCHEMBL19263186 0.96 ACE (0.37) ACEACE2PRCPCTSKKDM4E
SCHEMBL1274270 0.81 P2RY12 (0.35)
SCHEMBL3310386 0.77 ACE (0.35) ACEACE2CTSKCTSLCTSS
SCHEMBL3307214 0.77 ACE (0.32) ACEACE2CTSKCTSLTGM2
SCHEMBL3249828 0.76 TGM2 (0.34) ACEACE2PRCPCTSKCYP19A1
SCHEMBL13026228 0.75 AAK1 (0.35) PRCPTGM2CTSB
SCHEMBL19262939 0.74 ACE (0.38) ACEACE2CTSKCTSLCTSS
SCHEMBL13395442 0.73 P2RX3 (0.42) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL13413683 0.72 ELANE (0.35) KMT2ACYP19A1CTSB
SCHEMBL1243502 0.72 CYP3A4 (0.34) PRCPCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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 (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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ACE 89/4885ACE2 141/4885PRCP 50/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ACE 89/4885ACE2 141/4885PRCP 50/4885

“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.