SCHEMBL3662027

SCHEMBL3662027

CCOC(=O)c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)sc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 4/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3718737 0.90 ALDH1A1 (0.52) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13160449 0.84 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL3662214 0.80 GAA (0.57) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL13125193 0.80 ALDH1A1 (0.45) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13810041 0.79 GLS (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5441982 0.78 EED (0.50) ALDH1A1KDM4EMAPK1TP53MAPT
SCHEMBL26978240 0.75 KDM4E (0.50) HPGDKDM4EMAPTGPR119
SCHEMBL13160409 0.75 GAA (0.46) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL9962368 0.75 HCRTR2 (0.47) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3663510 0.74 GAA (0.46) ALDH1A1HPGDHSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 ADORA1 2031/4885ALDH1A1 285/4885HPGD 190/4885

“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.