SCHEMBL11934530

SCHEMBL11934530

CC(C)(C)[C@H](Nc1nc(-c2cnccn2)cs1)C(=O)N1C[C@@]2(C[C@H]1C(=O)NC(CC1CCC1)C(O)C(N)=O)CC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 4/20 0.33
▸ HTRA1 Q92743 2/20 0.32
▸ F2 P00734 1/20 0.31
▸ CTSV O60911 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ CMA1 P23946 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CTSF Q9UBX1 1/20 0.30

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
SCHEMBL11936553 0.90 CTSB (0.40) PDFF2CTSVCTSLCTSB
SCHEMBL8228348 0.90 CTSB (0.40) PDFF2CTSVCTSLCTSB
SCHEMBL8228964 0.89 PDF (0.32) PDFHTRA1CTSLCTSBCTSK
SCHEMBL13063179 0.81 CTSB (0.40) PDFHTRA1F2CTSVCTSL
SCHEMBL8225579 0.79 CTSB (0.38) PDFCTSVCTSLCTSBELANE
SCHEMBL8227722 0.78 CTSK (0.42) PDFHTRA1CTSVCTSLCTSB
SCHEMBL11930157 0.78 CTSK (0.42) PDFHTRA1CTSVCTSLCTSB
SCHEMBL11934529 0.78 CTSV (0.39) HTRA1CTSVCTSLCTSBELANE
SCHEMBL11930156 0.76 CTSV (0.44) PDFF2CTSVCTSLCTSB
SCHEMBL8220129 0.76 CTSV (0.44) PDFF2CTSVCTSLCTSB

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
EP-2007789-B1 Spirocyclic HCV/HIV inhibitors and their uses NOVARTIS AG (CH) 2015-05-20 — — EP disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US 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 (4 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 PDF 1511/4885HTRA1 981/4885F2 1674/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A PDF 1900/4885HTRA1 2685/4885F2 1498/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PDF 1511/4885HTRA1 981/4885F2 1674/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 PDF 1511/4885HTRA1 981/4885F2 1674/4885

“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.

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