SCHEMBL5111802

SCHEMBL5111802

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
REN P00797 3/20 0.51
CTSS P25774 7/20 0.49
CTSK P43235 6/20 0.49
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
ELANE P08246 1/20 0.47
ACE P12821 1/20 0.46
ABCB1 P08183 1/20 0.45
BCL2 P10415 1/20 0.45
PTPN1 P18031 1/20 0.45
KDM1A O60341 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
SCHEMBL5111794 1.00 ITGB3 (0.52) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL5123928 0.90 ITGB3 (0.52) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL5123922 0.90 ITGB3 (0.52) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL16909032 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL14343235 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL1087185 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL14032588 0.88 ITGB3 (0.48) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL20415859 0.87 PPARG (0.56) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL28561280 0.87 PPARG (0.56) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL5115792 0.85 ACE (0.50) ITGB3ITGA2BCTSSCTSKCTSB

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-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 ITGB3 2541/4885ITGA2B 4638/4885REN 1990/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 ITGB3 1886/4885ITGA2B 4580/4885REN 2402/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM ITGB3 2541/4885ITGA2B 4638/4885REN 1990/4885

“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.