SCHEMBL2489474

SCHEMBL2489474

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 1.00
CA2 P00918 1/20 1.00
CA4 P22748 1/20 1.00
CA9 Q16790 1/20 1.00
ADORA3 P0DMS8 5/20 0.76
ADORA2A P29274 1/20 0.72
ADORA2B P29275 1/20 0.72
ADORA1 P30542 1/20 0.72
SARS1 P49591 1/20 0.71
NT5E P21589 3/20 0.69
P2RY1 P47900 6/20 0.67
P2RY11 Q96G91 4/20 0.67
IARS1 P41252 1/20 0.67
MARS1 P56192 1/20 0.65
CD99 P14209 1/20 0.62

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
SCHEMBL29737838 1.00 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL2489469 1.00 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL14201599 1.00 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL18630526 0.90 CA1 (0.81) CA1CA2CA4CA9ADORA3
SCHEMBL14201600 0.88 CA1 (0.78) CA1CA2CA4CA9ADORA3
SCHEMBL10619733 0.88 CA1 (0.78) CA1CA2CA4CA9ADORA3
SCHEMBL4451649 0.86 ADORA3 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL4451640 0.86 ADORA3 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL5348320 0.86 ADORA3 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL5348325 0.86 ADORA3 (1.00) CA1CA2CA4CA9ADORA3

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
JP-11228422-A None JP disclosed
EP-1496056-B1 NOVEL COMPOUNDS AND ANTIMALARIALS UNIV OKAYAMA (JP) 2011-10-26 EP disclosed
EP-2074126-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
US-7407984-B2 Tetraoxaspriro anti-malarials OKAYAMA UNIVERSITY (JP) 2008-08-05 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
WO-2008049105-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 WO disclosed
EP-1262482-B1 NOVEL TRIOXA TRICYCLIC COMPOUNDS HAVING ANTIMALARIAL ACTIVITY JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-24 EP disclosed
US-20050131058-A1 Novel compounds and antimalarials OKAYAMA UNIVERSITY (JP) 2005-06-16 US disclosed
EP-1496056-A1 NOVEL COMPOUNDS AND ANTIMALARIALS Okayama University (JP) 2005-01-12 EP disclosed
US-6710074-B2 FOR THERAPY OF MALARIA JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-03-23 US disclosed
US-20030078291-A1 Novel compound having antimalarial activity JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2003-04-24 US disclosed
EP-1262482-A1 NOVEL COMPOUND HAVING ANTIMALARIAL ACTIVITY Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
JP-H11228422-A ANTIMALARIAL AGENT MITSUBISHI CHEMICAL CORP 1999-08-24 JP 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-20030078291-A1 Novel compound having antimalarial activity CYP51A1, CASP12, TBXAS1 CA1 3650/4885CA2 2212/4885CA4 3342/4885
US-20050131058-A1 Novel compounds and antimalarials SQLE, NR1H3, ALOX15 CA1 4704/4885CA2 4120/4885CA4 4725/4885
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CA1 4466/4885CA2 4557/4885CA4 4758/4885

“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.