SCHEMBL3917522

SCHEMBL3917522

COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.67
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PKM P14618 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
SLC10A6 Q3KNW5 1/20 0.55
PGR P06401 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51

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
SCHEMBL4289256 0.85 L3MBTL1 (0.65) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL10576413 0.84 SLC40A1 (0.59) ARGAASMN1; SMN2L3MBTL1PGR
SCHEMBL31235173 0.84 AR (0.67) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL410747 0.84 AR (0.67) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL5187428 0.83 PGR (0.64) GAASMN1; SMN2PKML3MBTL1PGR
SCHEMBL15661006 0.83 ALDH1A1 (0.61) ARGAASMN1; SMN2L3MBTL1LMNA
SCHEMBL4282718 0.83 AR (0.63) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL16680267 0.83 SMN1; SMN2 (0.67) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL29589718 0.83 AR (0.70) ARGAASMN1; SMN2PKML3MBTL1
SCHEMBL95754 0.82 GAA (0.66) ARGAASMN1; SMN2PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase SHOICHET BRIAN K 2009-12-24 US disclosed
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase SHOICHET BRIAN K 2009-12-24 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
US-7541381-B2 Non-covalent inhibitors of AmpC β-lactamase NORTHWESTERN UNIVERSITY (US) 2009-06-02 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-1421057-A4 CHEMOTHERAPEUTIC AGENTS STARPHARMA PTY LTD (AU) 2007-03-14 EP 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
US-20050038248-A1 Chemotherapeutic agents STARPHARMA PTY LTD (AU) 2005-02-17 US disclosed
EP-1421057-A1 CHEMOTHERAPEUTIC AGENTS Starpharma Limited (AU) 2004-05-26 EP disclosed
US-20030232830-A1 Non-covalent inhibitors of AmpC beta-lactamase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 US disclosed
WO-2003070682-A1 NON-COVALENT INHIBITORS OF AmpC ß-LACTAMASE NORTHWESTERN UNIVERSITY (US) 2003-08-28 WO disclosed
WO-2003018536-A1 CHEMOTHERAPEUTIC AGENTS STARPHARMA LIMITED (AU) 2003-03-06 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 (5 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 AR 310/4885GAA 3857/4885SMN1; SMN2 3431/4885
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase AMPD1, AMPD2, AMPD3 AR 3977/4885GAA 75/4885SMN1; SMN2 4668/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 AR 30/4885GAA 4207/4885SMN1; SMN2 2771/4885
US-20030232830-A1 Non-covalent inhibitors of AmpC beta-lactamase AMPD1, AMPD3, AMPD2 AR 4273/4885GAA 50/4885SMN1; SMN2 4650/4885
US-20050038248-A1 Chemotherapeutic agents MKI67, PCNA, MCL1 AR 3775/4885GAA 2267/4885SMN1; SMN2 2728/4885

“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.