SCHEMBL3300404

SCHEMBL3300404

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

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.84
GAA P10253 3/20 0.84
KMT2A Q03164 4/20 0.82
MEN1 O00255 2/20 0.81
USP2 O75604 2/20 0.81
LMNA P02545 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
NPC1 O15118 2/20 0.73
TSHR P16473 1/20 0.70
MAPT P10636 1/20 0.68
PKM P14618 2/20 0.67

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
SCHEMBL4070839 0.98 ALDH1A1 (0.84) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL4759272 0.88 KMT2A (0.78) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL3450415 0.86 KMT2A (0.72) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL29060821 0.86 KMT2A (0.72) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL4075002 0.86 L3MBTL1 (1.00) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL12386393 0.86 KMT2A (0.72) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL18711452 0.86 KMT2A (0.76) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL8222210 0.85 KMT2A (0.70) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL18181909 0.85 NPC1 (0.70) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL10125733 0.84 MAPT (0.70) ALDH1A1GAAKMT2AMEN1USP2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 EP disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 EP 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-20060135526-A1 Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2006-06-22 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 (3 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 ALDH1A1 207/4885GAA 3857/4885KMT2A 1872/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 ALDH1A1 554/4885GAA 4207/4885KMT2A 3314/4885
US-20060135526-A1 Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B ALDH1A1 1337/4885GAA 2468/4885KMT2A 3595/4885

“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.