SCHEMBL4154571

SCHEMBL4154571

Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 1.00
GABRA1 P14867 2/20 0.73
GABRG2 P18507 1/20 0.73
GABRB3 P28472 1/20 0.73
GABRA3 P34903 1/20 0.73
GABRA2 P47869 1/20 0.73

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
SCHEMBL4162143 0.90 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2959565 0.90 GABRA5 (0.84) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2960083 0.90 GABRA5 (0.85) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL14896646 0.86 GABRA5 (0.87) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4155478 0.85 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2957647 0.85 GABRA5 (0.81) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL2685527 0.85 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20241303 0.85 GABRA1 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL15064600 0.84 GABRA5 (0.98) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2929670 0.83 GABRA5 (0.82) GABRA5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604062-B2 Process for the preparation of isoxazolyl-methoxy nicotinic acids HOFFMAN-LA ROCHE INC. (US) 2013-12-10 US claimed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US claimed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
WO-2013057123-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 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 (5 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 GABRA5 151/4885GABRA1 130/4885GABRG2 512/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 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.