SCHEMBL4068121

SCHEMBL4068121

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
HTT P42858 5/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 8/20 0.49
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.46
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 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
SCHEMBL4759857 0.83 USP2 (0.62) MAPK1ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL4757991 0.83 CA12 (0.65) LMNAHTTALDH1A1PKMMEN1
SCHEMBL4075458 0.83 ALDH1A1 (0.58) LMNAMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13901771 0.80 CYP3A4 (0.42) LMNAALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL635208 0.78 ALDH1A1 (0.70) LMNAHTTMAPK1ALDH1A1PKM
SCHEMBL15077864 0.77 LMNA (0.55) LMNAHTTMAPK1ALDH1A1PKM
SCHEMBL8355315 0.76 ALDH1A1 (0.72) LMNAHTTMAPK1ALDH1A1PKM
SCHEMBL9293542 0.76 LMNA (0.60) LMNAHTTMAPK1ALDH1A1PKM
SCHEMBL21820680 0.76 ALDH1A1 (0.72) LMNAHTTMAPK1ALDH1A1PKM
SCHEMBL7130425 0.76 ALDH1A1 (0.60) LMNAHTTMAPK1ALDH1A1PKM

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 8 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
EP-1668020-A2 NOVEL ADENOSINE A SB 3 /SB RECEPTOR AGONISTS King Pharmaceuticals Research and Development Inc. (US) 2006-06-14 EP disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 US disclosed
WO-2005028489-A2 NOVEL ADENOSINE A3 RECEPTOR AGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2005-03-31 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A LMNA 3472/4885HTT 4129/4885MAPK1 2121/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 LMNA 4090/4885HTT 3986/4885MAPK1 2357/4885

“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.