SCHEMBL2835256

SCHEMBL2835256

COc1cc2nc(-c3ccccc3)nc(OC3CC4C(=O)NC(C(=O)O)CCC=CCCCCN(C)C(=O)[N+]4C3)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CTSB P07858 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ NTSR1 P30989 2/20 0.31
▸ WHR1 P49842 1/20 0.31

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
SCHEMBL3546840 0.89 CTSB (0.33) CTSB
SCHEMBL2833502 0.85 CTSS (0.32) CTSB
SCHEMBL3554802 0.85 CTSS (0.32) CTSBHCRTR1HCRTR2
SCHEMBL2839277 0.84 CTSS (0.34) CTSB
SCHEMBL2839929 0.84 CTSS (0.32) —
SCHEMBL2875843 0.81 CTSS (0.33) —
SCHEMBL2839721 0.79 JAK2 (0.33) —
SCHEMBL3552360 0.78 CTSS (0.31) KDM4ENPSR1HCRTR1HCRTR2
SCHEMBL2838453 0.77 CTSS (0.43) —
SCHEMBL2839736 0.75 CTSB (0.43) CTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 — — EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — 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 (1 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 KDM4E 4584/4885STAT6 3932/4885NPSR1 1086/4885

“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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