SCHEMBL5586953

SCHEMBL5586953

CCNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.75
MT-CO2 P00403 3/20 0.75
NR4A2 P43354 1/20 0.71
PTGS1 P23219 4/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
LMNA P02545 1/20 0.67
CA3 P07451 1/20 0.67
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2B P18089 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 1/20 0.67
ADORA1 P30542 1/20 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
SCHEMBL4538378 0.90 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL28922237 0.87 PTGS2 (0.82) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL14561968 0.87 PTGS2 (0.74) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5069877 0.87 PTGS2 (0.74) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071844 0.86 PTGS2 (0.81) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5481289 0.86 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL14561978 0.85 PTGS2 (0.67) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL14561970 0.85 PTGS2 (0.71) PTGS2MT-CO2NR4A2PTGS1CA12
Water SCHEMBL5477391 0.85 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5422595 0.84 PTGS2 (0.77) PTGS2MT-CO2NR4A2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
EP-1379513-B1 PRODRUGS OF COX-2 INHIBITORS PHARMACIA CORP (US) 2007-08-22 EP disclosed
US-20050032852-A1 Prodrugs of cox-2 inhibitors CARTER JEFFERY S (US) 2005-02-10 US disclosed
US-6809111-B2 ANTIINFLAMMATORY AGENTS; ANALGESICS PHARMACIA CORPORATION 2004-10-26 US disclosed
EP-1379513-A1 PRODRUGS OF COX-2 INHIBITORS Pharmacia Corporation (US) 2004-01-14 EP disclosed
US-6613790-B2 For therapy of cyclooxygenase-2 mediated disease PHARMACIA CORPORATION 2003-09-02 US disclosed
US-20030055012-A1 Prodrugs of COX-2 inhibitors PHARMACIA CORPORATION 2003-03-20 US disclosed
WO-2002083655-A1 PRODRUGS OF COX-2 INHIBITORS PHARMACIA CORPORATION (US) 2002-10-24 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-20030055012-A1 Prodrugs of COX-2 inhibitors PTGS2, PTGS1, PTGES2 PTGS2 1/4885MT-CO2 2037/4885NR4A2 2753/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PTGS2 13/4885MT-CO2 4111/4885NR4A2 1050/4885
US-20050032852-A1 Prodrugs of cox-2 inhibitors PTGS2, PTGES2, PTGER2 PTGS2 1/4885MT-CO2 2024/4885NR4A2 2762/4885

“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.