Sugi Predict

Sugi Predict / Compounds / SCHEMBL1474528

SCHEMBL1474528

SCHEMBL1474528

O=C(O)c1ccc(-c2csc(NC3CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ ITGB3 P05106 6/20 0.59
▸ ITGA2B P08514 6/20 0.59
▸ CSNK2A1 P68400 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPY5R Q15761 1/20 0.51
▸ SCD O00767 1/20 0.50
▸ LMNA P02545 1/20 0.49

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
SCHEMBL1473691 0.95 RAB9A (0.69) RAB9ANPC1ITGB3ITGA2BCSNK2A1
SCHEMBL27575993 0.91 ITGB3 (0.54) RAB9ANPC1ITGB3ITGA2BCSNK2A1
Bromide SCHEMBL6185442 0.90 ITGB3 (0.53) RAB9ANPC1ITGB3ITGA2BCSNK2A1
SCHEMBL6184939 0.82 ENPP2 (0.61) RAB9ANPC1ITGB3ITGA2BSMN1; SMN2
SCHEMBL6182814 0.82 ITGB3 (0.54) RAB9ANPC1ITGB3ITGA2BCSNK2A1
Hydrochloric Acid SCHEMBL5391861 0.81 ITGB3 (0.55) RAB9ANPC1ITGB3ITGA2BCSNK2A1
SCHEMBL3974279 0.81 RAB9A (0.54) RAB9ANPC1ITGB3ITGA2BSMN1; SMN2
SCHEMBL1473954 0.80 CSNK2A1 (0.54) RAB9ANPC1ITGB3ITGA2BCSNK2A1
SCHEMBL7430139 0.80 ITGB3 (0.56) RAB9ANPC1ITGB3ITGA2BCSNK2A1
SCHEMBL1474211 0.80 CSNK2A1 (0.63) RAB9ANPC1CSNK2A1SMN1; SMN2MEN1

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 34 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 RAB9A 1155/4885NPC1 482/4885ITGB3 1896/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 RAB9A 365/4885NPC1 159/4885ITGB3 2908/4885
US-20130252969-A1 Compounds CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 RAB9A 220/4885NPC1 81/4885ITGB3 2767/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK RAB9A 1120/4885NPC1 438/4885ITGB3 1936/4885

“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.