SCHEMBL3289586

SCHEMBL3289586

O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.63
CYP1A2 P05177 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL9149866 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL154485 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL4830684 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL4277097 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL79438 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL154484 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL10814176 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL344883 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL3138148 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL8439741 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132263-A1 Enzyme detection/assay method and substrates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US claimed
US-6379911-B2 ANALYZING NUCLEOSIDE HYDROLASES; DETECTING PARASITES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-04-30 US claimed
US-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-06 US claimed
US-7709223-B2 Method for detecting bacteria with chromogenic substrates for β-D-ribofuranosidase BURTON MICHAEL 2010-05-04 US disclosed
US-20080193959-A1 Enzyme Substrates BURTON MICHAEL 2008-08-14 US disclosed
US-7384763-B2 Method of detecting β-D-ribofuranosidase activity BURTON MICHAEL 2008-06-10 US disclosed
EP-1438424-B1 ENZYME SUBSTRATES FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2006-01-18 EP disclosed
EP-1438424-A2 ENZYME SUBSTRATES FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-21 EP disclosed
US-6764829-B2 DETECTING PARASITES USING CHROMOGENIC SUBSTRATES; OBTAIN SAMPLE, INCUBATE WITH CHROMGENIC SUBSTRATE, DETECT FORMATION OF CHROMOPHORE PRODUCT ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-07-20 US disclosed
WO-2003035897-A2 ENZYME SUBSTRATES FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO disclosed
US-20020132263-A1 Enzyme detection/assay method and substrates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6379911-B2 ANALYZING NUCLEOSIDE HYDROLASES; DETECTING PARASITES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-04-30 US disclosed
US-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-06 US disclosed
WO-1997031008-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES INDUSTRIAL RESEARCH LIMITED (NZ) 1997-08-28 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-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES PNP, TREH, XDH TYR 264/4885CYP1A2 1951/4885NFKB1 3914/4885

“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.