SCHEMBL349793

SCHEMBL349793

CC(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)C(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 20/20 1.00

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
SCHEMBL350088 0.84 LIPE (1.00) LIPE
SCHEMBL744479 0.83 LIPE (0.71) LIPE
SCHEMBL350200 0.80 LIPE (1.00) LIPE
SCHEMBL349602 0.79 LIPE (1.00) LIPE
SCHEMBL350214 0.77 LIPE (1.00) LIPE
SCHEMBL348448 0.76 LIPE (1.00) LIPE
SCHEMBL744014 0.75 LIPE (0.64) LIPE
SCHEMBL336482 0.74 LIPE (0.59) LIPE
SCHEMBL350111 0.74 LIPE (1.00) LIPE
SCHEMBL350110 0.74 LIPE (1.00) LIPE

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
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-2593454-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US claimed
WO-2012007367-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B LIPE 4875/4885

“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.