SCHEMBL2979294

SCHEMBL2979294

CCCNC(=O)Nc1scc(C)c1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
ALOX12 P18054 1/20 0.45
GSTO1 P78417 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL2993917 0.92 NPSR1 (0.46) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL10731479 0.90 ALDH1A1 (0.51) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL2984306 0.89 ALDH1A1 (0.52) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL18097073 0.88 MAPT (0.45) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL18096913 0.88 ALDH1A1 (0.45) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL2991353 0.85 MEN1 (0.55) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL2989345 0.85 LMNA (0.51) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL11468077 0.84 TP53 (0.62) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL18097642 0.84 LMNA (0.46) LMNAALDH1A1NPSR1MAPTPOLB
SCHEMBL2992373 0.84 MEN1 (0.45) LMNAALDH1A1NPSR1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776868-B2 Substituted bicyclic and tricyclic thieno[2,3-d]pyrimidines as A2A adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-08-17 US disclosed
EP-2121705-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2009-11-25 EP disclosed
EP-1989210-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-08-07 US disclosed
WO-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 WO disclosed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 US 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-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction CHRNE, CHRNA3, CHRNA1 LMNA 4733/4885ALDH1A1 419/4885NPSR1 633/4885
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 LMNA 4583/4885ALDH1A1 925/4885NPSR1 178/4885

“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.