SCHEMBL4068017

SCHEMBL4068017

O=C=Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.67
ALDH1A1 P00352 8/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 3/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX2 P34913 1/20 0.53
GAA P10253 2/20 0.52

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
SCHEMBL4070989 0.98 SMN1; SMN2 (0.69) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL4068598 0.92 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL2834532 0.76 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL19392453 0.76 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL29259787 0.76 ALDH1A1 (1.00) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL2916275 0.76 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL13846055 0.76 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL10082160 0.76 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL13845977 0.76 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL128274 0.76 ALDH1A1 (1.00) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4

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 6 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-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 SMN1; SMN2 3431/4885KDM4E 3083/4885RECQL 637/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 SMN1; SMN2 2771/4885KDM4E 3299/4885RECQL 958/4885

“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.