SCHEMBL8267517

SCHEMBL8267517

COC1OC(C(=O)O)C(O)C(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ M6PR P20645 2/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ SUCNR1 Q9BXA5 1/20 0.36
▸ LGALS8 O00214 2/20 0.36
▸ FGF2 P09038 1/20 0.34
▸ IDUA P35475 1/20 0.33
▸ HPSE Q9Y251 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18412631 1.00 M6PR (0.38) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL21065667 1.00 M6PR (0.38) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL13642457 0.89 AKT1 (0.36) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL24694355 0.86 FGF2 (0.43) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL13901005 0.85 M6PR (0.41) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL21540433 0.85 M6PR (0.41) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL8267592 0.85 FGF2 (0.37) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL16744184 0.85 M6PR (0.41) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL13814803 0.85 FGF2 (0.37) M6PRAKT1SUCNR1LGALS8FGF2
SCHEMBL18372818 0.85 FGF2 (0.37) M6PRAKT1SUCNR1LGALS8FGF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3232193-A2 DIAGNOSIS OF MPS I DISORDERS BY MEASURING NON-REDUCING ENDS OF GAGS AFTER ENZYMATIC DIGEST BioMarin Pharmaceutical Inc. (US) 2017-10-18 — — EP disclosed
EP-2376915-B1 METHOD FOR DIAGNOSING MPS IIIB DISORDER BIOMARIN PHARM INC (US) 2017-03-29 — — EP disclosed
US-9512161-B2 Hydroxyl, keto, and glucuronide derivatives of 3-(4-(7H-pyrrolo[2,3-D]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE CORPORATION (US) 2016-12-06 — — US disclosed
WO-2015145336-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2015-10-01 — — WO disclosed
US-20140378400-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2014-12-25 — — US disclosed
US-8748401-B2 Hydroxyl, keto, and glucuronide derivatives of 3-(4-(7H pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE CORPORATION (US) 2014-06-10 — — US disclosed
US-8486902-B2 Hydroxyl, keto, and glucuronide derivatives of 3-(4-(7H-pyrrolo[2,3-d] pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE CORPORATION (US) 2013-07-16 — — US disclosed
US-20110086810-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d] PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-14 — — US disclosed
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof WYETH (US) 2008-10-23 — — US disclosed
WO-2006052886-A1 METABOLITES OF CERTAIN [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AND METHODS OF PREPARATION AND USE THEREOF WYETH (US) 2006-05-18 — — 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 (3 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-20110086810-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d] PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE UGT1A4, UGT1A3, UGT1A1 M6PR 1208/4885AKT1 4456/4885SUCNR1 946/4885
US-20140378400-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE UGT1A4, UGT1A3, UGT1A1 M6PR 1208/4885AKT1 4456/4885SUCNR1 946/4885
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof UGT1A8, CYP2C8, NQO1 M6PR 1935/4885AKT1 3876/4885SUCNR1 1385/4885

“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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