SCHEMBL3313061

SCHEMBL3313061

CCOC(=O)C1CCC=CCCCCN(C)C(=O)C2CC(Oc3cc(OC)nc(OC)n3)CC2C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.33
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL3306838 0.93 CTSB (0.34) CTSBCTSS
SCHEMBL3309557 0.90 CTSB (0.43) CTSBCTSSKMT2AALDH1A1
SCHEMBL3308309 0.90 CTSB (0.38) CTSBCTSS
SCHEMBL3309377 0.90 CTSB (0.41) CTSBCTSSALDH1A1
SCHEMBL3311656 0.83 CTSB (0.36) CTSBCTSS
SCHEMBL3307886 0.83 CTSB (0.42) CTSBALDH1A1
SCHEMBL3309948 0.81 CTSB (0.45) CTSBCTSSKMT2A
SCHEMBL3310240 0.80 CTSB (0.42) CTSBCTSS
SCHEMBL996663 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3313060 0.79 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 3 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

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 1936/4885KMT2A 4374/4885

“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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