SCHEMBL1608164

SCHEMBL1608164

CO[C@@H]1[C@H]2OC(=O)O[C@H]2[C@H](Oc2ccc3cc(NC(C)=O)c(=O)oc3c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GLA P06280 3/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
MAOB P27338 6/20 0.46
MAOA P21397 4/20 0.46
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 6/20 0.39
HSP90AB1 P08238 6/20 0.39
ACHE P22303 1/20 0.38
SLC16A3 O15427 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1608167 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL6936567 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL13609385 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL10260265 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL17049926 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL13620758 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL10260111 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL6931358 0.90 KDM4E (0.54) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL12567077 0.89 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL10306504 0.89 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 EP claimed
US-7811998-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2010-10-12 US claimed
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents UNIVERSITY OF KANSAS (US) 2010-02-25 US claimed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US claimed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US claimed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 US claimed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
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-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US 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-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-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
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
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
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 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 (5 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 ALDH1A1 3407/4885HPGD 1743/4885KDM4E 4217/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN ALDH1A1 4309/4885HPGD 1385/4885KDM4E 4719/4885
US-20060199776-A1 Novobiocin analogues as anticancer agents HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 2718/4885HPGD 2112/4885KDM4E 4084/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3066/4885HPGD 803/4885KDM4E 2965/4885
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 2718/4885HPGD 2112/4885KDM4E 4084/4885

“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.