SCHEMBL4447607

SCHEMBL4447607

CC(=O)O[C@@H]1CO[C@H](COCc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.41
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACACB O00763 1/20 0.38
SLC6A2 P23975 1/20 0.38
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
DRD1 P21728 1/20 0.37
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 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
SCHEMBL7203604 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL4350566 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL17541938 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL7203599 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL17541937 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL7790188 1.00 ALDH1A1 (0.42) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL8080146 0.82 LMNA (0.44) ALDH1A1BCHEACHELMNATAAR1
SCHEMBL5213078 0.80 CHRNB2 (0.42) ALDH1A1BCHELMNATSHRMAPK1
SCHEMBL6784103 0.80 CHRNB2 (0.42) ALDH1A1BCHELMNATSHRMAPK1
SCHEMBL172658 0.80 CHRNB2 (0.42) ALDH1A1BCHELMNATSHRMAPK1

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
EP-2138179-A1 Use of cytidine derivatives for the treatment of leukaemia Shire Canada Inc. (CA) 2009-12-30 EP disclosed
US-6964968-B2 Method for the treatment or prevention of viral infection using nucleoside analogues SHIRE BIOCHEM, INC. (CA) 2005-11-15 US disclosed
US-20050101571-A1 Methods of treating cancer using a combination of drugs JOLIVET JACQUES (CA) 2005-05-12 US disclosed
US-20040192654-A1 Methods of treating leukemia BIOCHEM PHARMA INC. (CA) 2004-09-30 US disclosed
EP-1214074-B1 DIOXOLANE NUCLEOSIDE ANALOGS FOR THE TREATMENT OR PREVENTION OF VIRAL INFECTION SHIRE BIOCHEM INC (CA) 2004-06-16 EP disclosed
US-6747036-B2 USE OF NUCLEOSIDE ANALOGUES (CYTOSINE OR 5-FLUOROCYTOSINE CONTAINING COMPOUND) USEFUL FOR ACUTE OR CHRONIC MYELOGENOUS LEUKEMIA BIOCHEM PHARMA INC. (CA) 2004-06-08 US disclosed
US-20040014757-A1 Method for the treatment or prevention of viral infection using nucleoside analogues BIOCHEM PHARMA INC. (CA) 2004-01-22 US disclosed
US-6630480-B1 Methods of treating leukemia BIOCHEM PHARMA INC. (CA) 2003-10-07 US disclosed
US-6583149-B1 2-hydroxymethyl-4-(cytosin-1'-yl)-1,3-Dioxolane BIOCHEM PHARMA INC. (CA) 2003-06-24 US disclosed
US-20030060476-A1 Method and compositions for the synthesis of dioxolane nucleosides with beta-configuration BIOCHEM PHARMA INC. 2003-03-27 US disclosed
US-20030027799-A1 Methods of treating cancer using a combination of drugs SHIRE BIOCHEM INC. (CA) 2003-02-06 US disclosed
US-20020107225-A1 Methods of treating leukemia BIOCHEM PHARMA INC. (CA) 2002-08-08 US disclosed
US-20020058670-A1 Method and compositions for the synthesis of dioxolane nucleosides with beta-configuration BIOCHEM PHARMA INC. 2002-05-16 US disclosed
EP-0970074-B1 METHOD AND COMPOSITIONS FOR THE SYNTHESIS OF DIOXOLANE NUCLEOSIDES WITH BETA-CONFIGURATION SHIRE BIOCHEM INC (CA) 2002-03-20 EP disclosed
US-6069250-A STEREOSELECTIVE SYNTHESIS OF THE BETA (CIS) ISOMER BY GLYCOSYLATING THE BASE WITH A 2-PROTECTED HYDROXYL-4-HALO-1,3-DIOXOLANE AT A TEMPERATURE OF-10 DEGREES C.; KINETICS BIOCHEM PHARMA INC. (CA) 2000-05-30 US disclosed
US-5922867-A GLYCOSYLATING THE NUCLEOSIDE BASE WITH AN CHEMICAL INTERMEDIATE BELOW A TEMPERATURE OF ABOUT-10.DEGREE. C. BIOCHEM PHARMA INC. (CA) 1999-07-13 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 (7 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-20030060476-A1 Method and compositions for the synthesis of dioxolane nucleosides with beta-configuration DPYD, DHPS, DAD1 ALDH1A1 497/4885BCHE 825/4885ACHE 2374/4885
US-20030027799-A1 Methods of treating cancer using a combination of drugs TYMP, DPYD, MTHFD1 ALDH1A1 107/4885BCHE 1746/4885ACHE 4389/4885
US-20040014757-A1 Method for the treatment or prevention of viral infection using nucleoside analogues TREH, HPRT1, TYMP ALDH1A1 3710/4885BCHE 1203/4885ACHE 1580/4885
US-20020107225-A1 Methods of treating leukemia MCL1, HCCS, BCL9 ALDH1A1 108/4885BCHE 2602/4885ACHE 4109/4885
US-20040192654-A1 Methods of treating leukemia MCL1, HCCS, BCL9 ALDH1A1 103/4885BCHE 2446/4885ACHE 4095/4885
US-20020058670-A1 Method and compositions for the synthesis of dioxolane nucleosides with beta-configuration DPYD, DHPS, DAD1 ALDH1A1 497/4885BCHE 825/4885ACHE 2374/4885
US-20050101571-A1 Methods of treating cancer using a combination of drugs TYMP, DPYD, NTPCR ALDH1A1 231/4885BCHE 1522/4885ACHE 4187/4885

“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.