SCHEMBL241807

SCHEMBL241807

NS(=O)(=O)c1cccc(N=C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.60
CA9 Q16790 12/20 0.60
CA12 O43570 8/20 0.60
GLO1 Q04760 5/20 0.58
CA1 P00915 8/20 0.57
NOS1 P29475 1/20 0.57
CA7 P43166 4/20 0.56
CA14 Q9ULX7 2/20 0.50
CA4 P22748 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
SCHEMBL483895 0.85 LMNA (0.45) CA2CA9CA12GLO1CA1
SCHEMBL3406988 0.84 CA2 (0.62) CA2CA9CA12GLO1CA1
SCHEMBL11298641 0.81 SENP3 (0.52) CA2CA9CA12GLO1CA1
SCHEMBL11296127 0.81 TDP1 (0.44) CA2CA9CA12GLO1CA1
SCHEMBL1772255 0.81 CYP3A4 (0.42) CA2CA9CA12GLO1CA1
SCHEMBL6313736 0.81 CA2 (0.40) CA2CA9CA12GLO1CA1
Hydrochloric Acid SCHEMBL11296130 0.80 SENP3 (0.51) CA2CA9CA12GLO1CA1
SCHEMBL183418 0.80 CA2 (0.39) CA2CA9CA12GLO1CA1
SCHEMBL17577475 0.79 MAPK1 (0.42) CA2CA9CA12GLO1CA1
SCHEMBL13452326 0.79 CA2 (0.66) CA2CA9CA12GLO1CA1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 CN disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 WO disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-4453971-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed
EP-0001515-B1 HERBICIDAL SULFONAMIDES, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-18 EP disclosed
US-4369058-A PLANT GROWTH REGULATORS, HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-18 US disclosed
US-4225337-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-30 US disclosed
EP-0001515-A2 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-18 EP 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-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA2 2138/4885CA9 869/4885CA12 1400/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA2 2138/4885CA9 869/4885CA12 1400/4885

“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.