Sugi Predict

Sugi Predict / Compounds / SCHEMBL3075847

SCHEMBL3075847

SCHEMBL3075847

COCCCOC(=O)c1ccc(F)c(OCCCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.52
▸ TTR P02766 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALB P02768 1/20 0.44
▸ SERPINE1 P05121 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAD52 P43351 1/20 0.43

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
SCHEMBL16471630 0.94 HDAC6 (0.50) HDAC6TTRKDM4EPOLBALB
SCHEMBL3977771 0.90 TTR (0.61) TTRKDM4EALBKMT2AMEN1
SCHEMBL3065854 0.84 HDAC6 (0.54) HDAC6KDM4EPOLBCYP1A2CYP2D6
SCHEMBL3369968 0.83 HDAC6 (0.52) HDAC6KDM4EPOLBCYP1A2CYP2D6
SCHEMBL3372971 0.82 HDAC6 (0.49) HDAC6KDM4EPOLBCYP1A2CYP2D6
SCHEMBL15927332 0.81 THRA (0.54) HDAC6KDM4ECYP1A2CYP2D6TSHR
SCHEMBL14926445 0.81 THRA (0.57) HDAC6NPC1ESR1
SCHEMBL2952231 0.81 TTR (0.45) HDAC6TTRKDM4EPOLBALB
SCHEMBL3373279 0.81 HDAC6 (0.50) HDAC6KDM4EPOLBSERPINE1CYP1A2
SCHEMBL25864576 0.81 PTGER4 (0.51) HDAC6SMN1; SMN2KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 — — US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 — — EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 — — US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 — — US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 — — US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 — — EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 — — US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 — — EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 — — 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 (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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 HDAC6 1036/4885TTR 1478/4885KDM4E 1787/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 HDAC6 1144/4885TTR 1085/4885KDM4E 1843/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 HDAC6 1144/4885TTR 1085/4885KDM4E 1843/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 HDAC6 1036/4885TTR 1478/4885KDM4E 1787/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 HDAC6 1036/4885TTR 1478/4885KDM4E 1787/4885

“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.