SCHEMBL13835302

SCHEMBL13835302

O=C1[C@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]2CCN1c1ccc(OC(F)(F)F)cc1

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
SCHEMBL13835830 1.00 LIPE (1.00) LIPE
SCHEMBL13836111 1.00 LIPE (1.00) LIPE
SCHEMBL16564305 0.88 LIPE (0.79) LIPE
SCHEMBL13836110 0.88 LIPE (1.00) LIPE
SCHEMBL13835979 0.88 LIPE (1.00) LIPE
SCHEMBL16564306 0.84 LIPE (0.70) LIPE
SCHEMBL13836263 0.82 LIPE (1.00) LIPE
SCHEMBL13836129 0.82 LIPE (1.00) LIPE
SCHEMBL13835855 0.81 LIPE (1.00) LIPE
SCHEMBL13836280 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US claimed

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-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds LIPE, LIPC, PNLIP LIPE 1/4885

“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.