SCHEMBL5122389

SCHEMBL5122389

COC(=O)C(Cc1ccc(O)c(C(C)=O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.51
LCK P06239 1/20 0.50
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
CTSB P07858 4/20 0.45
ACE P12821 1/20 0.44
CTSL P07711 2/20 0.43
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL5122384 1.00 KLK5 (0.51) KLK5LCKCTSSCTSKCTSB
SCHEMBL27573951 0.91 ALDH1A1 (0.46) KLK5CTSSCTSKCTSBACE
SCHEMBL5787697 0.91 ALDH1A1 (0.46) KLK5CTSSCTSKCTSBACE
SCHEMBL3013721 0.88 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013717 0.88 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL10099992 0.86 KLK5 (0.53) KLK5LCKCTSSCTSKCTSB
SCHEMBL8300244 0.86 KLK5 (0.53) KLK5LCKCTSSCTSKCTSB
SCHEMBL23447587 0.85 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL7039592 0.85 CA2 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL20529400 0.85 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB

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 KLK5 4719/4885LCK 3382/4885CTSS 1089/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 KLK5 4815/4885LCK 3246/4885CTSS 1089/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM KLK5 4719/4885LCK 3382/4885CTSS 1089/4885

“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.