SCHEMBL5775928

SCHEMBL5775928

COc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
ACHE P22303 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.44
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL5122208 1.00 HPGD (0.56) HPGDSMN1; SMN2ACHECA1CA2
SCHEMBL29142097 0.89 HPGD (0.45) HPGDSMN1; SMN2ACHECA1CA2
SCHEMBL8276846 0.88 HPGD (0.44) HPGDSMN1; SMN2ACHECA1CA2
SCHEMBL27552474 0.88 HPGD (0.44) HPGDSMN1; SMN2ACHECA1CA2
SCHEMBL18854495 0.88 HPGD (0.50) HPGDSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL8221949 0.88 HPGD (0.50) HPGDSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL19595090 0.88 HPGD (0.44) HPGDSMN1; SMN2ACHECA1CA2
SCHEMBL15336462 0.88 ALDH1A1 (0.52) HPGDSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL25806193 0.87 SMN1; SMN2 (0.44) HPGDSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL31500690 0.86 HPGD (0.63) HPGDSMN1; SMN2ACHECA1CA2

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-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
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-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 HPGD 4608/4885SMN1; SMN2 3730/4885ACHE 4045/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 HPGD 4350/4885SMN1; SMN2 4386/4885ACHE 4305/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HPGD 4608/4885SMN1; SMN2 3730/4885ACHE 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.