Sugi Predict

Sugi Predict / Compounds / SCHEMBL286034

SCHEMBL286034

SCHEMBL286034

CCOC(=O)c1c(-c2ccc(F)cc2)noc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ GAA P10253 1/20 0.61
▸ NPC1 O15118 2/20 0.59
▸ MAPK1 P28482 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ GPBAR1 Q8TDU6 1/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ ATM Q13315 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PTBP1 P26599 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2923610 0.89 ATM (0.64) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL3294932 0.87 POLB (0.57) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL13674 0.86 CACNA1F (0.62) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL286360 0.86 GPBAR1 (0.62) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL899450 0.86 POLB (0.56) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL14583 0.86 POLB (0.56) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL2776267 0.86 TSHR (0.70) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL536297 0.86 TSHR (0.74) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL4721200 0.86 LMNA (0.72) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL2780502 0.85 GPBAR1 (0.58) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 — — EP disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 — — EP disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 — — EP disclosed
EP-2768821-B1 SOLID FORMS OF (1,1-DIOXO-4-THIOMORPHOLINYL)-[6-[[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE HOFFMANN LA ROCHE (CH) 2016-11-16 — — 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
US-8975397-B2 Solid forms HOFFMANN-LA ROCHE INC. (US) 2015-03-10 — — US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
WO-2014181287-A1 HETEROCYCLYL COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2014-11-13 — — WO disclosed
US-20140329806-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2014-11-06 — — US disclosed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 — — EP disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 — — EP disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 — — EP disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 — — US disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 — — WO disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 — — WO disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE 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
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 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 (4 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 ALDH1A1 938/4885LMNA 3918/4885KDM4E 1485/4885
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 ALDH1A1 808/4885LMNA 4304/4885KDM4E 2095/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 ALDH1A1 1301/4885LMNA 2743/4885KDM4E 1917/4885
US-20140329806-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 ALDH1A1 1453/4885LMNA 2806/4885KDM4E 2539/4885

“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.