SCHEMBL2993917

SCHEMBL2993917

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
GAA P10253 3/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ALOX12 P18054 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
SCHEMBL2979294 0.92 LMNA (0.48) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL10731479 0.87 ALDH1A1 (0.51) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL2984306 0.87 ALDH1A1 (0.52) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL18096913 0.86 ALDH1A1 (0.45) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL18097073 0.86 MAPT (0.45) NPSR1GAAHTTKDM4EALDH1A1
SCHEMBL2991353 0.83 MEN1 (0.55) NPSR1GAAHTTKDM4ETSHR
SCHEMBL2989345 0.82 LMNA (0.51) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL11468077 0.82 TP53 (0.62) NPSR1GAAHTTKDM4ETSHR
SCHEMBL18097642 0.82 LMNA (0.46) NPSR1GAAHTTKDM4ERAB9A
SCHEMBL2992373 0.82 MEN1 (0.45) NPSR1GAAHTTKDM4ERAB9A

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 NPSR1 633/4885GAA 372/4885HTT 48/4885
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 NPSR1 178/4885GAA 796/4885HTT 177/4885

“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.