SCHEMBL3099303

SCHEMBL3099303

O=C(c1ccc(OCc2c(-c3ccc(F)cn3)noc2CO)nc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.65
GABRA1 P14867 2/20 0.65
GABRG2 P18507 1/20 0.65
GABRB3 P28472 1/20 0.65
GABRA3 P34903 1/20 0.65
GABRA2 P47869 1/20 0.65

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
SCHEMBL536008 0.90 GABRA5 (0.80) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2685021 0.89 GABRA5 (0.81) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL535758 0.87 GABRA5 (0.64) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL535888 0.83 GABRA5 (0.67) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL535766 0.83 GABRA5 (0.76) GABRA5
SCHEMBL535941 0.81 GABRA5 (0.79) GABRA5
SCHEMBL2957647 0.79 GABRA5 (0.81) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL2685527 0.79 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2928715 0.79 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL15064600 0.78 GABRA5 (0.98) GABRA5GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP claimed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US claimed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 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 (2 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-20100256127-A1 SUBSTITUTED ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885GABRG2 18/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885GABRA1 16/4885GABRG2 13/4885

“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.