Sugi Predict

Sugi Predict / Compounds / SCHEMBL1473981

SCHEMBL1473981

SCHEMBL1473981

O=C(O)c1ccc(-c2csc(N3CCOCC3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.71
▸ RAB9A P51151 6/20 0.69
▸ NPC1 O15118 5/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ MAPK1 P28482 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ HTT P42858 1/20 0.62
▸ HPGD P15428 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53

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
Bromide SCHEMBL1840854 0.92 RAB9A (0.61) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL12661275 0.89 CTSB (0.58) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7543278 0.88 RAB9A (0.66) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL1476242 0.86 SMN1; SMN2 (0.69) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL1169212 0.84 CHEK1 (0.58) RAB9ANPC1SMN1; SMN2MAPK1LMNA
SCHEMBL1476361 0.84 KDM4E (0.54) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27669237 0.84 RAB9A (0.59) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL12601866 0.83 AR (0.94) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674650 0.83 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6629014 0.83 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1

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 36 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-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 — — WO 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
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 AR 786/4885RAB9A 1155/4885NPC1 482/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 AR 3010/4885RAB9A 365/4885NPC1 159/4885
US-20130252969-A1 Compounds CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 AR 2640/4885RAB9A 220/4885NPC1 81/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK AR 848/4885RAB9A 1120/4885NPC1 438/4885

“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.