SCHEMBL6933338

SCHEMBL6933338

CC(=O)NC[C@@H]1C[C@@H](O)[C@@H](O)[C@H](OC(C)C)O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.39
MTNR1A P48039 1/20 0.35
ENGASE Q8NFI3 1/20 0.34
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL12958028 0.88 TDP1 (0.33)
SCHEMBL6936881 0.84 FUCA1 (0.39) FUCA1MTNR1AENGASEGLA
SCHEMBL6933752 0.80 CA1 (0.30)
SCHEMBL6933287 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10259075 0.77
SCHEMBL24270550 0.77 SLC5A2 (0.32)
SCHEMBL6933346 0.77 SLC5A2 (0.32)
SCHEMBL19997414 0.77 SLC5A2 (0.32)
SCHEMBL23226254 0.77 SLC5A2 (0.32)
SCHEMBL6933721 0.77 ALDH1A1 (0.43) FUCA1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
US-7811998-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2010-10-12 US disclosed
US-7811998-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2010-10-12 US disclosed
US-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS UNIVERSITY OF KANSAS (US) 2010-04-29 US disclosed
US-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS UNIVERSITY OF KANSAS (US) 2010-04-29 US disclosed
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents UNIVERSITY OF KANSAS (US) 2010-02-25 US disclosed
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents UNIVERSITY OF KANSAS (US) 2010-02-25 US disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS SSB, IAPP, NLN FUCA1 744/4885MTNR1A 2522/4885ENGASE 1152/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P FUCA1 1441/4885MTNR1A 4375/4885ENGASE 506/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN FUCA1 744/4885MTNR1A 2522/4885ENGASE 1152/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 FUCA1 566/4885MTNR1A 4827/4885ENGASE 39/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD FUCA1 516/4885MTNR1A 4414/4885ENGASE 863/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 FUCA1 2835/4885MTNR1A 4715/4885ENGASE 4297/4885
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents HSP90B1, HSP90AB2P, HSP90AB1 FUCA1 1551/4885MTNR1A 4571/4885ENGASE 339/4885

“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.