SCHEMBL940091

SCHEMBL940091

CC(C)(C)OC(=O)N1CCCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
ROCK2 O75116 3/20 0.45
JAK1 P23458 1/20 0.42
HDAC4 P56524 1/20 0.40
CRBN Q96SW2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
ACACB O00763 4/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
SCD5 Q86SK9 1/20 0.39
ATR Q13535 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
SCHEMBL12911929 0.85 HPGD (0.51) ROCK2HPGDMAPK1
SCHEMBL12178648 0.85 HPGD (0.51) ROCK2HPGDMAPK1
SCHEMBL12912343 0.82 HRH3 (0.43) KMT2AROCK2HPGDMAPK1
SCHEMBL1126032 0.82 ALDH1A1 (0.44) KMT2AROCK2HPGDMAPK1
SCHEMBL12912255 0.81 ROCK2 (0.47) GPR119ROCK2
SCHEMBL12912339 0.80 MAPK1 (0.38) MEN1KMT2AROCK2HPGDMAPK1
SCHEMBL12911960 0.80 SPR (0.37) ROCK2HPGDMAPK1
SCHEMBL937379 0.80 HRH3 (0.41) ROCK2HPGDMAPK1
SCHEMBL938384 0.79 ROCK2 (0.73) GPR119ROCK2
SCHEMBL13558339 0.79 ROCK2 (0.45) ROCK2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 MEN1 3430/4885KMT2A 2132/4885GPR119 31/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 MEN1 3430/4885KMT2A 2132/4885GPR119 31/4885

“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.