SCHEMBL1608243

SCHEMBL1608243

CO[C@@H]1[C@H]2OC(=O)O[C@H]2[C@H](Oc2ccc3cc(NC(=O)OCc4ccccc4)c(=O)oc3c2Cc2ccccc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
HSP90AA1 P07900 8/20 0.43
HSP90AB1 P08238 8/20 0.43
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL1608245 1.00 MAOB (0.45) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1607247 0.94 MAOB (0.45) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1607248 0.94 MAOB (0.45) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1607186 0.91 HSP90AA1 (0.49) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1607184 0.91 HSP90AA1 (0.49) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1606468 0.90 HSP90AA1 (0.46) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1606470 0.90 HSP90AA1 (0.46) MAOBHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL10306570 0.84 MAOB (0.53) MAOBMAOANPC1
SCHEMBL10291367 0.84 MAOB (0.53) MAOBMAOANPC1
SCHEMBL17049904 0.84 MAOB (0.53) MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P MAOB 3684/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAOB 3983/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD MAOB 1261/4885HSP90AA1 292/4885HSP90AB1 76/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MAOB 4744/4885HSP90AA1 17/4885HSP90AB1 13/4885

“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.