Sugi Predict

Sugi Predict / Compounds / SCHEMBL1474426

SCHEMBL1474426

SCHEMBL1474426

O=C(O)c1ccc(-c2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.60
▸ KDM4E B2RXH2 6/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ RAB9A P51151 6/20 0.51
▸ GAA P10253 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ BAZ2A Q9UIF9 2/20 0.47
▸ CPT2 P23786 1/20 0.46
▸ CPT1A P50416 1/20 0.46
▸ CPT1B Q92523 1/20 0.46
▸ CSNK2A1 P68400 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ P2RY14 Q15391 1/20 0.40

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
SCHEMBL2297392 0.83 HPGDS (0.78) HPGDSKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1475902 0.82 CTSL (0.55) KDM4EALDH1A1RAB9AGAAPOLB
Bromide SCHEMBL2973216 0.82 HPGDS (0.76) HPGDSKDM4EALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL1653092 0.82 HPGDS (0.76) HPGDSKDM4EALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL3768256 0.82 HPGDS (0.76) HPGDSKDM4EALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL9408069 0.81 HPGDS (0.51) HPGDSKDM4EALDH1A1RAB9AGAA
SCHEMBL4262100 0.81 HPGDS (0.59) HPGDSKDM4EALDH1A1RAB9AGAA
SCHEMBL4259512 0.81 HPGDS (0.59) HPGDSKDM4EALDH1A1RAB9AGAA
SCHEMBL3772350 0.81 HPGDS (0.59) HPGDSKDM4EALDH1A1RAB9AGAA
SCHEMBL4265265 0.80 HPGDS (0.61) HPGDSKDM4EALDH1A1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 — — US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 — — EP disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 — — US disclosed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 — — US disclosed
EP-2719700-A1 TETRAHYDROFURO(3,2-B)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES Amura Therapeutics Limited (GB) 2014-04-16 — — EP disclosed
US-20130252969-A1 Compounds AMURA THERAPEUTICS LIMITED (GB) 2013-09-26 — — US disclosed
US-8501744-B2 Piperazine compounds AMURA THERAPEUTICS, LIMITED (GB) 2013-08-06 — — US disclosed
EP-2078023-B1 TETRAHYDROFURO (3, 2-B) PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2012-12-26 — — EP disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 — — EP disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 — — US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 — — US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 — — US disclosed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO disclosed
WO-2008007107-A1 TETRAHYDROFURO (3, 2-B) PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO disclosed
CN-1918169-A Cysteine protease inhibitors MEDIVIR AB (SE) 2007-02-21 — — CN disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 — — EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 — — 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 (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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK HPGDS 1562/4885KDM4E 2541/4885ALDH1A1 4169/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 HPGDS 1261/4885KDM4E 277/4885ALDH1A1 3062/4885
US-20130252969-A1 Compounds CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 HPGDS 1841/4885KDM4E 384/4885ALDH1A1 3315/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK HPGDS 999/4885KDM4E 2528/4885ALDH1A1 4297/4885

“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.