SCHEMBL1475583

SCHEMBL1475583

Cc1c(C(=O)O)oc2ccc(OCC3CN(C)CCO3)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL5288124 1.00 KDM4E (0.57) KDM4ENPC1RAB9AHRH3HPGD
SCHEMBL5287827 1.00 KDM4E (0.57) KDM4ENPC1RAB9AHRH3HPGD
SCHEMBL1472922 0.89 KDM4E (0.52) KDM4ENPC1RAB9AHRH3HPGD
SCHEMBL5294746 0.84 KDM4E (0.51) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8283237 0.81 KDM4E (0.58) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL5289807 0.80 HRH3 (0.51) HRH3HPGDMEN1KMT2AALDH1A1
SCHEMBL5295906 0.80 HRH3 (0.51) HRH3HPGDMEN1KMT2AALDH1A1
SCHEMBL1474034 0.80 HRH3 (0.51) HRH3HPGDMEN1KMT2AALDH1A1
SCHEMBL27669293 0.79 EDNRA (0.54) KDM4ENPC1RAB9AHRH3
SCHEMBL1473531 0.75 KDM4E (0.47) KDM4ENPC1RAB9AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 — — US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 — — US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 — — US disclosed
CN-100469780-C Cysteine protease inhibitors MEDIVIR AB (SE) 2009-03-18 — — CN 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
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-2007006715-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 (2 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 KDM4E 2541/4885NPC1 482/4885RAB9A 1155/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KDM4E 2528/4885NPC1 438/4885RAB9A 1120/4885

“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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