SCHEMBL4076243

SCHEMBL4076243

CS(=O)(=O)CNc1nc(C(=O)O)c(O)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 1/20 0.39
COMT P21964 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
FTO Q9C0B1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM6B O15054 1/20 0.37
KDM6A O15550 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
TET1 Q8NFU7 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37

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
SCHEMBL4072645 0.88 KDM4E (0.43) KDM4EHSP90AA1HSP90AB1COMTL3MBTL1
SCHEMBL7258267 0.74 KDM4E (0.53) KDM4EHSP90AA1HSP90AB1L3MBTL1FTO
SCHEMBL4076247 0.73 KDM4E (0.41) KDM4EHSP90AA1HSP90AB1COMTL3MBTL1
SCHEMBL7101457 0.72 TDP1 (0.42) KDM4EHSP90AA1FTOALDH1A1NPC1
SCHEMBL4769298 0.71 COMT (0.40) KDM4EHSP90AA1HSP90AB1COMTL3MBTL1
SCHEMBL4071983 0.71 KDM4E (0.56) KDM4EHSP90AA1HSP90AB1L3MBTL1FTO
SCHEMBL6646416 0.71 KDM4E (0.49) KDM4EHSP90AA1HSP90AB1L3MBTL1FTO
SCHEMBL7258792 0.69 KDM4E (0.51) KDM4EL3MBTL1FTOALDH1A1KDM6B
SCHEMBL7258791 0.69 KDM4E (0.45) KDM4EHSP90AA1HSP90AB1L3MBTL1FTO
SCHEMBL4058774 0.69 KDM4E (0.42) KDM4EHSP90AA1HSP90AB1L3MBTL1FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, 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 (4 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-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 KDM4E 354/4885HSP90AA1 4725/4885HSP90AB1 4689/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885HSP90AA1 2805/4885HSP90AB1 1954/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 KDM4E 303/4885HSP90AA1 4766/4885HSP90AB1 4725/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885HSP90AA1 2805/4885HSP90AB1 1954/4885

“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.