SCHEMBL6936113

SCHEMBL6936113

CCCCOCC1CC2OC(C)(C)OC2C(O)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDK1 Q15118 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ PPP5C P53041 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL14380454 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1PDK1KMT2A
SCHEMBL19519667 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1PDK1
SCHEMBL10142208 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1PDK1KMT2A
SCHEMBL6933436 0.78 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL10142408 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL19352626 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TDP1KMT2ACA1
SCHEMBL18313127 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TDP1KMT2ACA1
SCHEMBL10291150 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL19519551 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL13644905 0.75 LMNA (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 — — WO 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-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-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 (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-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS SSB, IAPP, NLN SMN1; SMN2 71/4885ALDH1A1 4309/4885TDP1 46/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 1937/4885ALDH1A1 3407/4885TDP1 396/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 SMN1; SMN2 3956/4885ALDH1A1 3066/4885TDP1 1736/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 SMN1; SMN2 4743/4885ALDH1A1 4382/4885TDP1 4253/4885
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents HSP90B1, HSP90AB2P, HSP90AB1 SMN1; SMN2 3057/4885ALDH1A1 2718/4885TDP1 1908/4885

“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.

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