SCHEMBL4337826

SCHEMBL4337826

IC1(COCc2ccccc2)OCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TACR1 P25103 2/20 0.44
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
AGXT P21549 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 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
SCHEMBL715051 0.81 TSHR (0.52) TSHRTACR1ALDH1A1MEN1KMT2A
SCHEMBL711818 0.79 TSHR (0.48) TSHRTACR1ALDH1A1MEN1KMT2A
SCHEMBL4654483 0.79 TSHR (0.48) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL10371092 0.76 TSHR (0.54) TSHRTACR1ALDH1A1IDO1TAAR1
SCHEMBL714091 0.75 TSHR (0.48) TSHRTACR1ALDH1A1MEN1KMT2A
SCHEMBL17611895 0.75 TACR1 (0.44) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL27674725 0.74 TSHR (0.47) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL754280 0.73 TSHR (0.50) TSHRTACR1ALDH1A1IDO1TAAR1
SCHEMBL16946080 0.72 KMT2A (0.41) TSHRTACR1ALDH1A1MEN1KMT2A
SCHEMBL416619 0.72 TACR1 (0.42) TSHRTACR1ALDH1A1MEN1KMT2A

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 23 patents — showing the first 20. 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
EP-1165096-B1 USE OF CYTIDINE DERIVATIVES FOR THE TREATMENT OF LEUKAEMIA SHIRE CANADA INC (CA) 2009-09-09 EP disclosed
CN-1297281-C Method for treatment of leukaemia HILA BIOCHEM PHARMA INC (CA) 2007-01-31 CN 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
EP-1372658-A2 METHODS OF TREATING CANCER USING CYPLASTIN COMBINED WITH A DIOXOLANE NUCLEOSIDE SUCH AS TROXACITABINE Shire Biochem Inc. (CA) 2004-01-02 EP disclosed
US-20030027799-A1 Methods of treating cancer using a combination of drugs SHIRE BIOCHEM INC. (CA) 2003-02-06 US disclosed
WO-2002078678-A2 METHODS OF TREATING CANCER USING CYPLASTIN COMBINED WITH A DIOXOLANE NUCLEOSIDE SUCH AS TROXACITABINE SHIRE BIOCHEM INC. (CA) 2002-10-10 WO 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
CN-1345242-A Method for treating leukemia HILA BIOCHEM PHARMA INC (CA) 2002-04-17 CN 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
CN-1080263-C Method and compositions for the synthesis of dioxolane nucleosides with 'beta'-configuration IAF BIOCHEM INT (CA) 2002-03-06 CN 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
CN-1208414-A Method and compositions for the synthesis of dioxolane nucleosides with 'beta'-configuration IAF BIOCHEM INT (CA) 1999-02-17 CN 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 (6 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-20030027799-A1 Methods of treating cancer using a combination of drugs TYMP, DPYD, MTHFD1 TSHR 3049/4885TACR1 1376/4885ALDH1A1 107/4885
US-20040014757-A1 Method for the treatment or prevention of viral infection using nucleoside analogues TREH, HPRT1, TYMP TSHR 4451/4885TACR1 2419/4885ALDH1A1 3710/4885
US-20020107225-A1 Methods of treating leukemia MCL1, HCCS, BCL9 TSHR 4262/4885TACR1 4195/4885ALDH1A1 108/4885
US-20040192654-A1 Methods of treating leukemia MCL1, HCCS, BCL9 TSHR 4188/4885TACR1 4187/4885ALDH1A1 103/4885
US-20020058670-A1 Method and compositions for the synthesis of dioxolane nucleosides with beta-configuration DPYD, DHPS, DAD1 TSHR 3713/4885TACR1 3668/4885ALDH1A1 497/4885
US-20050101571-A1 Methods of treating cancer using a combination of drugs TYMP, DPYD, NTPCR TSHR 2627/4885TACR1 1087/4885ALDH1A1 231/4885

“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.