SCHEMBL882048

SCHEMBL882048

C=Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
UCHL1 P09936 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTPN1 P18031 1/20 0.37
NAMPT P43490 1/20 0.37
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
P2RX3 P56373 1/20 0.35
MAPK1 P28482 1/20 0.35
TGM2 P21980 1/20 0.34
CYP19A1 P11511 1/20 0.34
HTRA1 Q92743 1/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL1050056 1.00 DDB1 (0.41) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL14615804 0.93 DDB1 (0.38) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL8262167 0.92 PRMT5 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL8261917 0.89 DDB1 (0.43) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL14963381 0.88 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL2805310 0.88 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL6913773 0.88 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL4655478 0.88 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL1634817 0.87 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3
SCHEMBL1634816 0.87 DDB1 (0.42) DDB1CRBNUCHL1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
EP-2076278-B1 Macrocyclic HCV NS3 protease inhibitors MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008051477-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US 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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC DDB1 1169/4885CRBN 1825/4885UCHL1 483/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DDB1 3622/4885CRBN 2171/4885UCHL1 162/4885
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC DDB1 1169/4885CRBN 1825/4885UCHL1 483/4885

“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.