SCHEMBL4066416

SCHEMBL4066416

CCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
LMNA P02545 6/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
MMP1 P03956 1/20 0.58

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
SCHEMBL9775630 0.99 POLB (0.75) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL4594909 0.95 POLB (0.79) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL9614881 0.89 POLB (0.84) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL11247690 0.88 POLB (0.68) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL28079515 0.87 POLB (0.79) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL12912609 0.85 POLB (0.77) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL7160320 0.85 POLB (0.77) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL12570935 0.85 POLB (0.71) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL12891515 0.83 POLB (0.73) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL4068451 0.83 POLB (0.78) POLBALDH1A1MEN1KMT2ANPSR1

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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A POLB 3884/4885ALDH1A1 207/4885MEN1 3593/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 POLB 3201/4885ALDH1A1 554/4885MEN1 4611/4885

“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.