SCHEMBL4070583

SCHEMBL4070583

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC=CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
PKM P14618 1/20 0.64
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
NPC1 O15118 1/20 0.57
ACHE P22303 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL2360974 0.86 ALDH1A1 (0.84) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL16854851 0.85 LMNA (0.60) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL5347059 0.83 ALDH1A1 (0.97) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL28137833 0.82 ALDH1A1 (1.00) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL28258373 0.81 ALDH1A1 (0.67) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL7647475 0.81 ALDH1A1 (0.75) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL17007463 0.81 ALDH1A1 (0.75) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL9976087 0.80 ALDH1A1 (0.73) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL17958630 0.80 ALDH1A1 (0.70) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL2061369 0.80 PKM (0.76) ALDH1A1PKMKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057957-B1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-9493432-B2 Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2016-11-15 US disclosed
EP-3057957-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-08-24 EP disclosed
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-04 US disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 WO 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
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 (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 207/4885PKM 3386/4885KMT2A 1872/4885
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders CNR1, GABRR1, GRIN2A ALDH1A1 971/4885PKM 2732/4885KMT2A 1130/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 ALDH1A1 554/4885PKM 3791/4885KMT2A 3314/4885

“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.