SCHEMBL2929690

SCHEMBL2929690

Cc1cccc(-c2noc(C)c2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.49
GPBAR1 Q8TDU6 1/20 0.46
HTR7 P34969 1/20 0.46
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.41
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2929737 0.85 PTGS1 (0.61) GABRA5GPBAR1HTR7NPC1RAB9A
SCHEMBL1777280 0.85 GABRA5 (0.54) GABRA5GPBAR1HTR7ALDH1A1
SCHEMBL107436 0.83 PTGS1 (0.58) GABRA5PTGS1PTGS2ALDH1A1PKM
SCHEMBL2925549 0.80 ALDH1A1 (0.48) GABRA5GPBAR1HTR7NPC1RAB9A
SCHEMBL10262565 0.78 HTR7 (0.51) GPBAR1HTR7NPC1POLBCASP3
SCHEMBL2924159 0.77 GABRA5 (0.54) GABRA5POLBALDH1A1NPSR1
SCHEMBL2961416 0.77 GABRA5 (0.50) GABRA5ALDH1A1
SCHEMBL1777617 0.76 GABRA5 (0.46) GABRA5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL2928713 0.74 GABRA5 (0.52) GABRA5GPBAR1
SCHEMBL22230645 0.74 GABRA5 (0.49) GABRA5NPC1RAB9APTGS1PTGS2

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-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-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274468-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
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO 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 (6 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 1/4885GPBAR1 208/4885HTR7 320/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885HTR7 265/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885HTR7 265/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885HTR7 265/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885HTR7 265/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885HTR7 265/4885

“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.