SCHEMBL600934

SCHEMBL600934

CC1(C)OC(=O)C(=CNc2ccc(S(C)(=O)=O)cc2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.67
TSHR P16473 1/20 0.66
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 3/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 1/20 0.40

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
SCHEMBL15555582 0.81 ALDH1A1 (0.75) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL12786989 0.81 ALDH1A1 (0.75) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL3583405 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP1A2CYP3A4
SCHEMBL601203 0.80 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL5739160 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL14075911 0.78 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL12496221 0.78 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL13640186 0.78 PTGS1 (0.42) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL3059418 0.77 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1PKMHPGD
SCHEMBL3583770 0.77 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 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 (5 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-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 ALDH1A1 3151/4885TSHR 1320/4885MAPK1 81/4885
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885TSHR 2105/4885MAPK1 99/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 ALDH1A1 3151/4885TSHR 1320/4885MAPK1 81/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 ALDH1A1 3151/4885TSHR 1320/4885MAPK1 81/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885TSHR 2105/4885MAPK1 99/4885

“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.