SCHEMBL1840653

SCHEMBL1840653

C[C@H](O)COc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CASR P41180 1/20 0.43
CACNA1G O43497 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6273026 1.00 LMNA (0.64) LMNATSHRNPC1MAPTMEN1
SCHEMBL1835550 1.00 LMNA (0.64) LMNATSHRNPC1MAPTMEN1
SCHEMBL4045199 0.94 LMNA (0.58) LMNATSHRNPC1MAPTMEN1
SCHEMBL5949941 0.89 LMNA (0.78) LMNATSHRMAPTPOLBNPSR1
SCHEMBL12306453 0.83 MAPT (0.47) LMNATSHRNPC1MAPTMEN1
SCHEMBL19026295 0.83 TSHR (0.47) LMNATSHRNPC1MEN1KMT2A
SCHEMBL4040218 0.82 LMNA (0.53) LMNATSHRNPC1MAPTPOLB
SCHEMBL10700083 0.82 TSHR (0.55) LMNATSHRNPC1MAPTMEN1
SCHEMBL5961837 0.81 NPC1 (0.46) LMNATSHRNPC1
SCHEMBL1496625 0.81 LMNA (0.67) LMNATSHRMAPTMEN1KMT2A

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-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-7671089-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2010-03-02 US disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2010-01-07 US disclosed
WO-2009140984-A1 ANHYDROUS AND HYDRATE FORMS OF CRYSTALLINE 2- ( (2S, 3R, 4E, 6E, 1OE, 12S) -13- (4-FLUOROPHENOXY) -2,3, 12- (TRIHYDROXYTRIDECA-4, 6, 10-TRIEN-8-YNYL) OXY) ACETIC ACID BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 WO disclosed
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-05-01 US disclosed
US-7323585-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-01-29 US disclosed
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2006-01-26 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 (7 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885TSHR 230/4885NPC1 601/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885TSHR 230/4885NPC1 601/4885
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885TSHR 2158/4885NPC1 3417/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885TSHR 230/4885NPC1 601/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885TSHR 230/4885NPC1 601/4885
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885TSHR 2158/4885NPC1 3417/4885
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC LMNA 2387/4885TSHR 2158/4885NPC1 3417/4885

“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.