SCHEMBL561595

SCHEMBL561595

O=C(OC1CCCC1)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2C19 P33261 2/20 0.33
BCHE P06276 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP2 P08253 1/20 0.32
NAAA Q02083 1/20 0.32
CA12 O43570 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
SCHEMBL1799225 0.98 EPHX1 (0.42) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL525096 0.96 EPHX1 (0.35) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL20469204 0.92 CCNE1 (0.38) CCNE1CDK2GSK3BMGLL
SCHEMBL20629735 0.89 SMN1; SMN2 (0.37) EPHX1CCNE1CDK2GSK3BSMN1; SMN2
SCHEMBL1300093 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL31736019 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL27365535 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL1300090 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL27385617 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1
SCHEMBL16746025 0.87 CCNE1 (0.34) EPHX1CCNE1CDK2GSK3BMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149528-A1 HIGH MOLECULAR MICELLES INCLUDING NOVEL BLOCK COPOLYMER 株式会社ブレイゾン・セラピューティクス 2023-08-10 WO disclosed
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 US disclosed
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2020-03-19 US disclosed
WO-2018236928-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2018-12-27 WO disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
EP-2422791-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2014-12-17 EP disclosed
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
EP-2751090-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION Gilead Sciences, Inc. (US) 2014-07-09 EP disclosed
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 US disclosed
EP-1474441-A1 TRIPEPTIDES HAVING A HYDROXYPROLINE ETHER OF A SUBSTITUTED QUINOLINE FOR THE INHIBITION OF NS3 (HEPATITIS C) Boehringer Ingelheim International GmbH (DE) 2004-11-10 EP disclosed
EP-1474423-A1 HETEROCYCLIC TRIPEPTIDES AS HEPATITIS C INHIBITORS Boehringer Ingelheim International GmbH (DE) 2004-11-10 EP disclosed
US-6642204-B2 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-04 US disclosed
US-20030191067-A1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030186895-A1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-20030187018-A1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
WO-2003064456-A1 TRIPEPTIDES HAVING A HYDROXYPROLINE ETHER OF A SUBSTITUTED QUINOLINE FOR THE INHIBITION OF NS3 (HEPATITIS C) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-08-07 WO disclosed
WO-2003064456-A1 TRIPEPTIDES HAVING A HYDROXYPROLINE ETHER OF A SUBSTITUTED QUINOLINE FOR THE INHIBITION OF NS3 (HEPATITIS C) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-08-07 WO disclosed
WO-2003064416-A1 HETEROCYCLIC TRIPEPTIDES AS HEPATITIS C INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-08-07 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 (7 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-20040229818-A1 Hepatitis C inhibitor compound HAVCR2, GTF3C1, RNASE1 EPHX1 1187/4885CCNE1 647/4885CDK2 404/4885
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 EPHX1 931/4885CCNE1 1750/4885CDK2 764/4885
US-20030191067-A1 Hepatitis C inhibitor tri-peptides CTRC, CTRL, GTF3C1 EPHX1 4194/4885CCNE1 1252/4885CDK2 1702/4885
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 EPHX1 931/4885CCNE1 1750/4885CDK2 764/4885
US-20030186895-A1 Hepatitis C inhibitor tri-peptides CTRC, CTRL, GTF3C1 EPHX1 4194/4885CCNE1 1252/4885CDK2 1702/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 EPHX1 931/4885CCNE1 1750/4885CDK2 764/4885
US-20030187018-A1 Hepatitis C inhibitor tri-peptides CTRC, CTRL, NGLY1 EPHX1 3353/4885CCNE1 977/4885CDK2 2941/4885

“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.