SCHEMBL4068944

SCHEMBL4068944

O=C=Nc1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
EPHX2 P34913 1/20 0.57
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4073900 0.98 USP2 (0.67) USP2EPHX2POLBALDH1A1GAA
SCHEMBL4077489 0.85 POLB (0.63) USP2EPHX2POLBALDH1A1GAA
SCHEMBL4757990 0.85 ATM (0.59) USP2EPHX2POLBMEN1KMT2A
SCHEMBL2913521 0.83 USP2 (0.65) USP2POLBALDH1A1GAAMEN1
SCHEMBL4086663 0.80 ALDH1A1 (0.58) USP2ALDH1A1GAAMEN1KMT2A
SCHEMBL13901737 0.79 USP2 (0.74) USP2POLBALDH1A1GAAMEN1
SCHEMBL7180551 0.77 CYP3A4 (0.52) EPHX2POLBALDH1A1GAAMEN1
SCHEMBL278353 0.77 CYP3A4 (0.52) EPHX2POLBALDH1A1GAAMEN1
SCHEMBL22684096 0.75 USP2 (0.61) USP2POLBALDH1A1GAAMEN1
SCHEMBL20379884 0.74 TSHR (0.59) EPHX2POLBALDH1A1KMT2ATSHR

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 USP2 4233/4885EPHX2 989/4885POLB 3884/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 USP2 2820/4885EPHX2 1727/4885POLB 3201/4885

“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.