SCHEMBL1472922

SCHEMBL1472922

CCOC(=O)c1oc2ccc(OCC3CN(C)CCO3)cc2c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TSHR P16473 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL1475583 0.89 KDM4E (0.57) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL5287827 0.89 KDM4E (0.57) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL5288124 0.89 KDM4E (0.57) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL8251140 0.85 KDM4E (0.47) KDM4EALDH1A1RAB9AUSP2NPC1
SCHEMBL1473531 0.85 KDM4E (0.47) KDM4EALDH1A1RAB9AUSP2NPC1
SCHEMBL5298598 0.82 HRH3 (0.48) HRH3
SCHEMBL5289669 0.82 HRH3 (0.48) HRH3
SCHEMBL5289680 0.82 HRH3 (0.48) HRH3
SCHEMBL27648970 0.80 NMT2 (0.59) KDM4EALDH1A1RAB9AUSP2NPC1
SCHEMBL5294746 0.75 KDM4E (0.51) KDM4ERAB9ANPC1MAPT

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 9 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-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
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
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 2541/4885ALDH1A1 4169/4885RAB9A 1155/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KDM4E 2528/4885ALDH1A1 4297/4885RAB9A 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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