SCHEMBL366242

SCHEMBL366242

N[C@@H](Cc1cn(OCCO)cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CPB2 Q96IY4 8/20 0.38
CPB1 P15086 5/20 0.38
SLC7A5 Q01650 2/20 0.38
SLC1A3 P43003 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
TYR P14679 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL30359452 0.84 CPB2 (0.41) CYP1A2CPB2CPB1
SCHEMBL27974517 0.76 CYP1A2 (0.46) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL4726518 0.74 CYP1A2 (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL44187 0.74 CYP1A2 (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL4727798 0.74 CYP1A2 (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL14798187 0.74 CYP1A2 (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL60911 0.74 CYP1A2 (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL7001068 0.73 SLC7A5 (0.44) CYP1A2CPB2CPB1SLC7A5ALPI
Hydrochloric Acid SCHEMBL6697015 0.73 TYR (0.45) CYP1A2CPB2CPB1SLC7A5SLC1A3
SCHEMBL1678922 0.73 CYP1A2 (0.44) CYP1A2CPB2CPB1SLC7A5SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110206756-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-08-25 US claimed
US-20110182978-A1 ACTIVATED NITRIC OXIDE DONORS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-07-28 US claimed
US-7951846-B2 pH-sensitive polymeric micelles for drug delivery BAE YOU HAN 2011-05-31 US claimed
EP-2265256-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2010-12-29 EP claimed
EP-2262478-A2 ACTIVATED NITRIC OXIDE DONORS AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2010-12-22 EP claimed
US-7659314-B2 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-02-09 US claimed
US-20090274753-A1 PH-SENSITIVE POLYMERIC MICELLES FOR DRUG DELIVERY UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-11-05 US claimed
WO-2009117333-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-09-24 WO claimed
WO-2009114368-A2 ACTIVATED NITRIC OXIDE DONORS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-09-17 WO claimed
US-7229973-B2 pH-sensitive polymeric micelles for drug delivery UTAH, UNIVERSITY OF RESEARCH FOUNDATION 2007-06-12 US claimed
US-20050186263-A1 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-08-25 US claimed
US-20050070721-A1 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-03-31 US claimed
EP-4337221-A1 SILICONE-BASED DYES AND METHODS FOR MAKING AND USING THE SAME University of Mississippi (US) 2024-03-20 EP disclosed
US-20220370641-A1 SILICONE-BASED DYES WITH SHORT WAVELENGTH INFRARED ABSORPTION AND EMISSION AND METHODS FOR MAKING AND USING THE SAME UNIV MISSISSIPPI (US) 2022-11-24 US disclosed
US-20170290915-A1 METHODS FOR DELIVERING AN ANTI-CANCER AGENT TO A TUMOR UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-10-12 US disclosed
US-9439915-B2 Activated nitric oxide donors and methods of making and using thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-09-13 US disclosed
US-20050186263-A1 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-08-25 US disclosed
US-20050118718-A1 Stabilization and controlled delivery of ionic biopharmaceuticals UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-06-02 US disclosed
US-20050070721-A1 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-03-31 US disclosed
US-20050070721-A1 PH-sensitive polymeric micelles for drug delivery UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-03-31 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 (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-20110206756-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF DLST, DLAT, TTPA CYP1A2 4860/4885CPB2 3307/4885CPB1 2334/4885
US-20110182978-A1 ACTIVATED NITRIC OXIDE DONORS AND METHODS OF MAKING AND USING THEREOF NOS2, NOS3, NOS1 CYP1A2 1887/4885CPB2 3988/4885CPB1 3562/4885
US-20170290915-A1 METHODS FOR DELIVERING AN ANTI-CANCER AGENT TO A TUMOR CD44, HDGF, HCCS CYP1A2 4586/4885CPB2 650/4885CPB1 1311/4885
US-20220370641-A1 SILICONE-BASED DYES WITH SHORT WAVELENGTH INFRARED ABSORPTION AND EMISSION AND METHODS FOR MAKING AND USING THE SAME SMARCB1, SMARCD1, SMARCA5 CYP1A2 3175/4885CPB2 3527/4885CPB1 3142/4885

“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.