SCHEMBL1173744

SCHEMBL1173744

O=C(O)c1ccc(I)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TPMT P51580 1/20 0.37
▸ PLA2G2D Q9UNK4 1/20 0.37

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
SCHEMBL20981671 0.85 MEN1 (0.54) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1173751 0.83 KDM4E (0.54) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL4568023 0.80 ALOX15 (0.40) MAPTHDAC1L3MBTL1
SCHEMBL23885600 0.79 KCNK2 (0.41) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL4568029 0.79 PDK1 (0.50) PDK1PDK2PDK3PDK4MEN1
SCHEMBL25236842 0.79 PDK1 (0.49) PDK1PDK2PDK3PDK4NPC1
SCHEMBL12392949 0.79 PDK1 (0.48) PDK1PDK2PDK3PDK4MEN1
SCHEMBL27447799 0.77 ABCC9 (0.56) PDK1PDK2PDK3PDK4MEN1
SCHEMBL28683966 0.77 PLA2G2D (0.47) PDK1PDK2PDK3PDK4MEN1
SCHEMBL23459070 0.75 PDK1 (0.48) PDK1PDK2PDK3PDK4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 — — EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 — — EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
EP-1891950-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 — — EP disclosed
US-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 — — US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 — — EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 — — US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 — — WO disclosed
EP-1414441-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 — — EP disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 — — EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 — — US disclosed
US-20030176433-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-18 — — US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 — — WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 — — 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 (5 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 PDK1 4873/4885PDK2 4593/4885PDK3 4538/4885
US-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 PDK1 4856/4885PDK2 4768/4885PDK3 4743/4885
US-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H PDK1 4836/4885PDK2 4577/4885PDK3 4644/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 PDK1 4733/4885PDK2 4553/4885PDK3 4168/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 PDK1 4883/4885PDK2 4859/4885PDK3 4824/4885

“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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