SCHEMBL5109784

SCHEMBL5109784

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.48
CTSK P43235 11/20 0.48
CTSL P07711 5/20 0.47
CTSB P07858 4/20 0.47
ELANE P08246 1/20 0.46
KDM1A O60341 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PTPN1 P18031 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL5109780 1.00 CTSS (0.48) CTSSCTSKCTSLCTSBELANE
SCHEMBL5123833 0.90 CTSS (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL5123843 0.90 CTSS (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL28912771 0.88 CTSL (0.53) CTSSCTSKCTSLCTSBITGB3
SCHEMBL20415660 0.88 CTSL (0.53) CTSSCTSKCTSLCTSBITGB3
SCHEMBL2809279 0.85 CTSK (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL2809280 0.85 CTSK (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL21013700 0.85 CTSK (0.52) CTSSCTSKCTSLCTSBATM
SCHEMBL2074403 0.84 CTSS (0.51) CTSSCTSKCTSLCTSBATM
SCHEMBL19969082 0.84 CTSS (0.51) CTSSCTSKCTSLCTSBATM

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 CTSS 1089/4885CTSK 2241/4885CTSL 430/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 CTSS 1089/4885CTSK 2292/4885CTSL 478/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM CTSS 1089/4885CTSK 2241/4885CTSL 430/4885

“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.