SCHEMBL3663944

SCHEMBL3663944

CCOC(=O)c1cc(C2CCOCC2)sc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
ALOX15 P16050 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
PDE4B Q07343 2/20 0.40
KDM4E B2RXH2 3/20 0.39
FHIT P49789 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3662214 0.86 GAA (0.57) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3106813 0.84 GAA (0.45) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3718737 0.77 ALDH1A1 (0.52) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13160409 0.77 GAA (0.46) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3663510 0.76 GAA (0.46) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2775462 0.74 ALDH1A1 (0.51) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL1973680 0.74 GAA (1.00) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL69313 0.74 GAA (0.71) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3662027 0.73 ADORA1 (0.46) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3663286 0.73 SMN1; SMN2 (0.54) GAAMAPK1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US disclosed
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US disclosed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US disclosed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US disclosed
EP-2627632-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-08-21 EP disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
WO-2012051318-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-04-19 WO disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
EP-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 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 (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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 GAA 959/4885MAPK1 477/4885ALDH1A1 285/4885
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same DNPEP, METAP2, ANPEP GAA 93/4885MAPK1 4195/4885ALDH1A1 957/4885

“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.