SCHEMBL723114

SCHEMBL723114

CC(=O)OC(C)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ADORA2B P29275 3/20 0.33
HDAC1 Q13547 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL14528798 1.00 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905936 0.84 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905939 0.84 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905959 0.84 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14033888 0.83 ALOX5 (0.49) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902506 0.83 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28791917 0.82 ALOX5 (0.49) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902253 0.80 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13704231 0.80 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11520602 0.77 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186651-B2 Metal organic framework modified materials, methods of making and methods of using same CORNELL UNIVERSITY (US) 2015-11-17 US disclosed
WO-2012027538-A2 METAL ORGANIC FRAMEWORK MODIFIED MATERIALS, METHODS OF MAKING AND METHODS OF USING SAME CORNELL UNIVERSITY CORNELL CENTER FOR TECHNOLOGY, ENTERPRISE & COMMERCIALIZATION ("CCTEC") (US) 2012-03-01 WO disclosed
US-7872011-B2 Inhibition of phosphoinositide 3-kinase β ASTRAZENECA AB (SE) 2011-01-18 US disclosed
US-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta KINACIA PTY. LTD. (AU) 2008-12-25 US disclosed
US-7405211-B2 Using 2-morpholinyl-4H-pyrido(1,2-a)pyrimidin-4-one; enzyme inhibitors; antithrombotic agents ; restenosis; atherosclerosis; antihistamines; chronic obsessive pulminary disease; autoimmune diseases; anticancer agents; antiinflammatory agents ASTRAZENECA AB (SE) 2008-07-29 US disclosed
EP-1857443-A2 Therapeutic morpholino-substituted compounds AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 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 (1 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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta PI4KB, PI4KA, PI4K2B ALOX5 2961/4885CHRNB2 4368/4885CHRNB4 4210/4885

“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.