SCHEMBL3633428

SCHEMBL3633428

CC(C)CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.55
▸ SMAD3 P84022 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ F7 P08709 1/20 0.51
▸ F3 P13726 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ EIF4A3 P38919 2/20 0.48
▸ SRD5A2 P31213 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DAO P14920 1/20 0.47

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
SCHEMBL6517283 0.84 HRH3 (0.59) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL3629675 0.83 HRH3 (0.70) HRH3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3625932 0.81 HRH3 (0.57) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL29415437 0.80 SMAD3 (0.68) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL1842307 0.80 SMAD3 (0.68) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL1734329 0.79 PIN1 (0.65) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL3960955 0.77 KDM4E (0.57) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL6513774 0.76 PIN1 (0.61) PIN1SMAD3TDP1HRH3KDM4E
SCHEMBL24197050 0.75 KDM4E (0.60) TDP1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL30270496 0.75 KDM4E (0.60) TDP1KDM4EHPGDHSD17B10ALDH1A1

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 PIN1 1170/4885SMAD3 2095/4885TDP1 1361/4885
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 PIN1 2789/4885SMAD3 1685/4885TDP1 568/4885

“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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