SCHEMBL5116747

SCHEMBL5116747

COc1ccc(C(N)C(=O)N2C(=O)OCC2C(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.50
IL6ST P40189 5/20 0.44
ACHE P22303 1/20 0.41
STAT3 P40763 1/20 0.39
HIF1A Q16665 3/20 0.38
PDE4B Q07343 2/20 0.37
TNF P01375 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL5116740 1.00 IDH1 (0.50) IDH1IL6STACHESTAT3HIF1A
SCHEMBL14032396 0.89 IDH1 (0.52) IDH1IL6STSTAT3HIF1A
SCHEMBL5109565 0.89 IDH1 (0.52) IDH1IL6STSTAT3HIF1A
SCHEMBL5109568 0.89 IDH1 (0.52) IDH1IL6STSTAT3HIF1A
SCHEMBL14032220 0.83 IDH1 (0.46) IDH1IL6STACHESTAT3HIF1A
SCHEMBL3948407 0.78 IL6ST (0.49) IDH1IL6STSTAT3PDE4B
SCHEMBL3948400 0.78 IL6ST (0.49) IDH1IL6STSTAT3PDE4B
SCHEMBL3955251 0.78 IL6ST (0.49) IDH1IL6STSTAT3PDE4B
SCHEMBL3955785 0.78 IL6ST (0.49) IDH1IL6STSTAT3PDE4B
SCHEMBL5108649 0.76 HTT (0.51) IDH1IL6ST

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM IDH1 833/4885IL6ST 154/4885ACHE 4045/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 IDH1 1064/4885IL6ST 109/4885ACHE 4305/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM IDH1 833/4885IL6ST 154/4885ACHE 4045/4885

“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.