SCHEMBL5063771

SCHEMBL5063771

CC(C)(C)OC(=O)C(=O)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CYP24A1 Q07973 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
TBXAS1 P24557 5/20 0.36
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
AHR P35869 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL217823 0.81 GPR119 (0.42) L3MBTL1CYP24A1GPR119TBXAS1CYP17A1
SCHEMBL8149950 0.79 HTT (0.40) CYP24A1TBXAS1ALDH1A1LMNAAHR
SCHEMBL5768859 0.78 TBXAS1 (0.36) CYP24A1TBXAS1ALDH1A1LMNAAHR
SCHEMBL618874 0.76 ALDH1A1 (0.43) CYP24A1TBXAS1ALDH1A1LMNATDP1
SCHEMBL19185024 0.76 QPCT (0.33) L3MBTL1CYP24A1GPR119CYP17A1ALDH1A1
SCHEMBL2218227 0.75 MAPT (0.46) TBXAS1ALDH1A1AHRTDP1
SCHEMBL6415097 0.75 AHR (0.35) TBXAS1ALDH1A1AHRTDP1
SCHEMBL21367602 0.75 L3MBTL1 (0.42) L3MBTL1CYP24A1GPR119CYP17A1ALDH1A1
SCHEMBL18886277 0.74 CYP19A1 (0.36) L3MBTL1CYP24A1GPR119
SCHEMBL15025343 0.73 L3MBTL1 (0.39) L3MBTL1CYP24A1GPR119TBXAS1CYP17A1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
EP-1814883-A1 BICYCLIC INHIBITORS OR RHO KINASE Vertex Pharmaceuticals Incorporated (US) 2007-08-08 EP disclosed
US-7214487-B2 Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates SUNESIS PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214487-B2 Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates SUNESIS PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214487-B2 Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates SUNESIS PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
EP-0627432-B1 6-Piperazinyl-1H-pyrazolo [3,4-b]pyridine-3-carboxylic Acids, Esters, Amides and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-09-03 EP disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
EP-0627432-A1 6-Piperazinyl-1H-pyrazolo [3,4-b]pyridine-3-carboxylic Acids, Esters, Amides andrelated compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-12-07 EP disclosed
US-5300498-A Treating depression, obsessive compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-05 US disclosed
US-4810397-A ALUMINUM COMPOUND, ACID, THIADIAZOLE OR TRIAZOLE UNION OIL COMPANY OF CALIFORNIA (US) 1989-03-07 US disclosed
US-4719001-A ALUMINUM COMPOUND AND THIADIAZOLE DERIVATIVE UNION OIL COMPANY OF CALIFORNIA (US) 1988-01-12 US 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 (1 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-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA L3MBTL1 2857/4885CYP24A1 4435/4885GPR119 2331/4885

“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.