SCHEMBL1246027

SCHEMBL1246027

O=Cc1cccc(SCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.42
ALDH1A1 P00352 9/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HPGD P15428 5/20 0.38
MAPT P10636 4/20 0.38
SRC P12931 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
MAP2K7 O14733 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1246050 0.90 CA2 (0.41) UNGALDH1A1CA2HPGDMAPT
SCHEMBL1024402 0.82 TP53 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL3238253 0.82 ALDH1A1 (0.43) UNGALDH1A1CA12CA1CA2
SCHEMBL10035840 0.80 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL1710647 0.79 ALDH1A1 (0.41) UNGALDH1A1HPGDMAPTL3MBTL1
SCHEMBL5883355 0.78 ALDH1A1 (0.44) UNGALDH1A1HPGDMAPTSRC
SCHEMBL846943 0.77 CA2 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL11431899 0.77 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11429530 0.77 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11430039 0.77 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO 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 (3 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 UNG 4820/4885ALDH1A1 264/4885CA12 3814/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 UNG 4811/4885ALDH1A1 102/4885CA12 1306/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 UNG 4820/4885ALDH1A1 264/4885CA12 3814/4885

“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.