SCHEMBL5108652

SCHEMBL5108652

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.50
PKM P14618 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MCL1 Q07820 1/20 0.46
NPC1 O15118 1/20 0.45
IL6ST P40189 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
GFER P55789 1/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14032439 1.00 HTT (0.51) HTTKDM4EALDH1A1PKMCACNA1B
SCHEMBL5108649 1.00 HTT (0.51) HTTKDM4EALDH1A1PKMCACNA1B
SCHEMBL3952315 0.87 CYP2C9 (0.48) KDM4EALDH1A1IL6STMEN1KMT2A
SCHEMBL3952320 0.87 CYP2C9 (0.48) KDM4EALDH1A1IL6STMEN1KMT2A
SCHEMBL3955019 0.87 CYP2C9 (0.48) KDM4EALDH1A1IL6STMEN1KMT2A
SCHEMBL15516020 0.82 IL6ST (0.45) ALDH1A1IL6STSMN1; SMN2IDH1
SCHEMBL15506112 0.82 IL6ST (0.45) ALDH1A1IL6STSMN1; SMN2IDH1
SCHEMBL7986602 0.81 ALDH1A1 (0.47) HTTKDM4EALDH1A1IL6STLMNA
SCHEMBL19183081 0.80 IL6ST (0.52) HTTALDH1A1IL6STSMN1; SMN2IDH1
SCHEMBL4770816 0.80 IL6ST (0.52) ALDH1A1IL6STATMGFERTSHR

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 HTT 2749/4885KDM4E 2381/4885ALDH1A1 3670/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 HTT 3911/4885KDM4E 3436/4885ALDH1A1 2335/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTT 2749/4885KDM4E 2381/4885ALDH1A1 3670/4885

“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.