SCHEMBL3306415

SCHEMBL3306415

CCOC(=O)C12CC1C=CCCCCN(C)C(=O)C1CC(Oc3cc(OC)nc(-c4ccccc4)n3)CC1C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.44
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL3306412 1.00 CTSB (0.53) CTSBCTSSMEN1POLBMAPK1
SCHEMBL13330904 1.00 CTSB (0.53) CTSBCTSSMEN1POLBMAPK1
SCHEMBL3307887 0.94 CTSB (0.55) CTSBCTSSPOLBMAPK1
SCHEMBL13330939 0.94 CTSB (0.55) CTSBCTSSPOLBMAPK1
SCHEMBL3307883 0.94 CTSB (0.55) CTSBCTSSPOLBMAPK1
SCHEMBL13330899 0.92 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3310246 0.92 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3312448 0.92 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3310420 0.91 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13330953 0.91 CTSB (0.47) CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 — — EP disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 — — US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 — — US disclosed
EP-2118091-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS Tibotec Pharmaceuticals (IE) 2009-11-18 — — EP disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 — — 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 (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-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 CTSB 2141/4885CTSS 1936/4885MEN1 4587/4885

“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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