SCHEMBL4080952

SCHEMBL4080952

CC(CP(=O)(O)O)c1cccc2c1N(O)c1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 2/20 0.40
NOX1 Q9Y5S8 1/20 0.39
CYP2D6 P10635 3/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
HTR6 P50406 2/20 0.36
ADRB3 P13945 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL2496191 0.84 BCHE (0.38) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL4079882 0.83 PTGS1 (0.44) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL5073280 0.82 BCHE (0.40) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL5070736 0.81 BCHE (0.37) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL7620961 0.77 PTGS1 (0.43) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL4343072 0.75 NOX1 (0.39) BCHENOX1POLBATMACHE
SCHEMBL4088074 0.73 BCHE (0.38) BCHENOX1ACHEMAPTHTR1A
SCHEMBL5566452 0.73 PTGS1 (0.47) BCHEPTGS1PTGS2NOX1CYP2D6
SCHEMBL7617079 0.72 BCHE (0.42) BCHENOX1MAPTHTR1AHTR2A
Phosphoric Acid SCHEMBL6395405 0.70 MEN1 (0.48) BCHENOX1CYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US claimed
US-7270880-B2 Electrochromic particles NTERA LIMITED (IE) 2007-09-18 US claimed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US claimed
JP-3934420-B2 2007-06-20 JP claimed
US-20060097233-A1 Electrochromic particles NTERA LIMITED (IE) 2006-05-11 US claimed
EP-1592758-A1 ELECTROCHROMIC PARTICLES Ntera Limited (IE) 2005-11-09 EP claimed
US-20050128561-A1 Electrochromic compound UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US claimed
US-20050128562-A1 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US claimed
EP-1500969-A1 Compound and its use in electrochromic devices UNIVERSITY COLLEGE DUBLIN (IE) 2005-01-26 EP claimed
EP-1224505-B1 ELECTROCHROMIC DEVICE UNIV DUBLIN (IE) 2005-01-12 EP claimed
WO-2004067672-A1 ELECTROCHROMIC PARTICLES NTERA LIMITED (IE) 2004-08-12 WO claimed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 EP claimed
JP-2003511837-A 2003-03-25 JP claimed
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP claimed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 WO claimed
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 EP disclosed
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP disclosed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 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 (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-20080167465-A1 Electrochromic compound KCNH2, PRDM9, H1-10 BCHE 1722/4885PTGS1 3369/4885PTGS2 2658/4885

“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.