SCHEMBL4830684

SCHEMBL4830684

O=[N+]([O-])c1ccc(OC2O[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
SCHEMBL4277097 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL3289586 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390890-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-24 US disclosed
US-20070197561-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-7211653-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-05-01 US disclosed
EP-1023308-B1 INHIBITORS OF NUCLEOSIDE METABOLISM EINSTEIN COLL MED (US) 2005-09-07 EP disclosed
US-20050026936-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-6803455-B2 PYRROLO(3,2-D)PYRIMIDIN-7-YL)-1,4-IMINO-D-RIBITOL DERIVATIVES; FOR SUPPRESSION OF T-CELL FUNCTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-10-12 US 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
US-20030096830-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2003-05-22 US disclosed
US-6492347-B2 TREATMENT AND/OR PROPHYLAXIS OF INFECTION CAUSED BY PROTOZOAN PARASITE BY ADMINISTERING COMPOUND TO INHIBIT PURINE NUCLEOSIDE HYDROLASE, PURINE NUCLEOSIDE PHOSPHORYLASE, AND/OR PURINE PHOSPHORIBOSYL TRANSFERASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-12-10 US 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-20020061898-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2002-05-23 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
US-6228847-B1 ADMINISTERING PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES AS PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITOR ALBERT EINSTEIN COLLEGE OF MEDICINE 2001-05-08 US disclosed
US-6066722-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-05-23 US disclosed
US-5985848-A EFFECTIVE INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE AND/OR NUCLEOSIDE HYDROLASES; TREATMENT AND/OR PROPHYLAXIS OF A PROTOZOAN INFECTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-11-16 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 (5 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-20050026936-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 TYR 888/4885CYP1A2 90/4885NFKB1 2862/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 TYR 1466/4885CYP1A2 677/4885NFKB1 3939/4885
US-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES PNP, TREH, XDH TYR 264/4885CYP1A2 1951/4885NFKB1 3914/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 TYR 888/4885CYP1A2 90/4885NFKB1 2862/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 TYR 925/4885CYP1A2 70/4885NFKB1 2354/4885

“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.