SCHEMBL288594

SCHEMBL288594

Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.56
GABRA1 P14867 3/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
ITGA5 P08648 2/20 0.46

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
SCHEMBL288800 0.89 GABRA5 (0.70) GABRA5ITGA5
SCHEMBL288349 0.87 GABRA5 (0.57) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21671724 0.87 GABRA5 (0.55) GABRA5GABRA1ITGA5
SCHEMBL1776885 0.86 GABRA5 (0.61) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2962750 0.83 GABRA5 (0.81) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL288742 0.82 GABRA5 (0.65) GABRA5ITGA5
SCHEMBL288200 0.81 GABRA5 (0.66) GABRA5ITGA5
SCHEMBL289211 0.80 GABRA5 (0.57) GABRA5GABRA1ITGA5
SCHEMBL288655 0.79 GABRA5 (0.57) GABRA5GABRA1ITGA5
SCHEMBL288771 0.78 GABRA5 (0.55) GABRA5GABRA1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP claimed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US claimed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 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-20100286132-A1 PYRIDINES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885GABRA1 3/4885GABRG2 21/4885

“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.