SCHEMBL1421327

SCHEMBL1421327

COC(=O)c1ccc(O)c(CN2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
CTSB P07858 1/20 0.54
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
XDH P47989 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 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
Hydrochloric Acid SCHEMBL27831975 0.99 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CTSBHCRTR1HCRTR2
SCHEMBL2781032 0.90 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL20496747 0.87 MAPK1 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL21639569 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL20496749 0.86 ALDH1A1 (0.64) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL4906777 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL4819066 0.85 CTSB (0.60) SMN1; SMN2CTSBALDH1A1KDM4EGAA
SCHEMBL1421316 0.83 CTSB (0.59) CTSBALDH1A1KDM4EGAAPKM
SCHEMBL21044059 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL221971 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
EP-2778156-A1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states AstraZeneca AB (Publ) (SE) 2014-09-17 EP disclosed
US-8273774-B2 Phenoxypyridinylamide compounds ASTRAZENECA AB (SE) 2012-09-25 US disclosed
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed
US-20100041638-A1 Chemical Compounds 293 ASTRAZENECA AB (SE) 2010-02-18 US disclosed
WO-2009144494-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 EP 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F SMN1; SMN2 2063/4885MAPK1 3982/4885CTSB 3340/4885
US-20100041638-A1 Chemical Compounds 293 PDE4B, PDE4A, PDE3B SMN1; SMN2 1711/4885MAPK1 1101/4885CTSB 1492/4885

“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.