SCHEMBL3629675

SCHEMBL3629675

CCOC(=O)c1cc2cc(C(=O)CC(C)C)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.70
▸ MMP13 P45452 8/20 0.69
▸ MMP2 P08253 6/20 0.69
▸ RAB9A P51151 4/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ NPC1 O15118 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ MMP14 P50281 4/20 0.55

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
SCHEMBL6517340 0.87 HRH3 (0.78) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL68923 0.85 HRH3 (0.84) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL15642660 0.85 HRH3 (0.74) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL6522481 0.85 HRH3 (0.74) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL3242684 0.84 HRH3 (0.72) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL1306748 0.83 HRH3 (1.00) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL2342439 0.83 HRH3 (0.80) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL3633428 0.83 PIN1 (0.55) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6517054 0.82 MMP13 (1.00) HRH3MMP13MMP2RAB9AKDM4E
SCHEMBL6512101 0.81 HRH3 (0.76) HRH3MMP13MMP2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278089-B2 Method of treating HCV infection with a small molecule CHK2 inhibitor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-08 — — US disclosed
US-20140294767-A1 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR PROVID PHARMACEUTICALS, INC. 2014-10-02 — — US disclosed
EP-2770993-A2 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2014-09-03 — — EP disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 — — EP disclosed
WO-2013063462-A2 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-02 — — WO disclosed
EP-2155675-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH Provid Pharmaceuticals, Inc. (US) 2010-02-24 — — EP disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 — — 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-20140294767-A1 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR CHEK2, CHEK1, CDK2 HRH3 2777/4885MMP13 4743/4885MMP2 4386/4885
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 HRH3 2502/4885MMP13 4574/4885MMP2 4022/4885

“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.

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