SCHEMBL465150

SCHEMBL465150

N#Cc1cnc(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SYK P43405 1/20 0.35
AURKA O14965 1/20 0.34
EGFR P00533 3/20 0.33
ERBB2 P04626 3/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SNCA P37840 1/20 0.32
SRC P12931 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAP2K1 Q02750 1/20 0.31
AR P10275 1/20 0.30
ABL1 P00519 1/20 0.30
KDR P35968 1/20 0.30
S1PR2 O95136 1/20 0.30

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
SCHEMBL11744305 0.78 S1PR2 (0.40) XDHCSNK1A1CLK4SYKAURKA
SCHEMBL20157281 0.74 MEN1 (0.39) XDHSYKEGFRERBB2ABL1
SCHEMBL27953801 0.74 AR (0.53) AR
SCHEMBL7875292 0.74 MAP2K1 (0.44) EGFRERBB2ALDH1A1SRCMAP2K1
SCHEMBL8081930 0.74 MAPK1 (0.38) XDHALDH1A1AR
SCHEMBL12466724 0.74 MEN1 (0.35) XDHCSNK1A1CLK4SYKAURKA
SCHEMBL7765659 0.72 SNCA (0.43) XDHSNCAAR
SCHEMBL14379734 0.71 ALDH1A1 (0.50) ALDH1A1NPSR1TDP1ADORA2AADORA1
SCHEMBL29878757 0.70 AR (0.44) AR
SCHEMBL5017573 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3563856-B1 PHARMACEUTICAL COMPOSITION COMPRISING CAPECITABINE, GIMERACIL, AND OTERACIL FOR TREATING CANCER AND USE THEREOF CHEN XIAOHUA (CN) 2020-11-04 EP disclosed
EP-3563856-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND USE THEREOF Chen, Xiaohua (CN) 2019-11-06 EP disclosed
CN-106619689-B It is a kind of for the pharmaceutical composition for the treatment of cancer, kit and its application 陈晓华 2018-05-01 CN disclosed
CN-106619689-A Medicine composition and kit for therapy of cancer and application thereof 陈晓华 2017-05-10 CN disclosed
EP-1750703-B1 METHOD FOR REDUCING GASTROINTESTINAL TOXICITY DUE TO THE ADMINISTRATION OF TEGAFUR TAIHO PHARMACEUTICAL CO LTD (JP) 2012-01-11 EP disclosed
US-20080166427-A1 Method for Reducing Gastrointestinal Toxicity Due to the Administration of Tegafur TAIHO PHARMACEUTICAL CO., LTD (JP) 2008-07-10 US disclosed
EP-1750703-A4 METHOD FOR REDUCING GASTROINTESTINAL TOXICITY DUE TO THE ADMINISTRATION OF TEGAFUR TAIHO PHARMACEUTICAL CO LTD (JP) 2008-02-27 EP disclosed
US-20070238767-A1 Thiazoline acid derivatives FOUNDATION, INC. (US) 2007-10-11 US disclosed
EP-1750703-A1 METHOD FOR REDUCING GASTROINTESTINAL TOXICITY DUE TO THE ADMINISTRATION OF TEGAFUR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-14 EP disclosed
WO-2005105086-A1 METHOD FOR REDUCING GASTROINTESTINAL TOXICITY DUE TO THE ADMINISTRATION OF TEGAFUR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
EP-0543015-B1 COMPOSITION, METHOD AND KIT FOR POTENTIATING ANTITUMOR ACTIVITY AND FOR CURING TUMOR TAIHO PHARMACEUTICAL CO LTD (JP) 1998-11-11 EP disclosed
US-5525603-A MIXTURE OF 2,4-DIHYDROXYPYRIDINE COMPOUND AND OXONIC ACIDADMINISTERED WITH TEGAFUR; SIDE-EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-06-11 US disclosed
EP-0543015-A1 COMPOSITION, METHOD AND KIT FOR POTENTIATING ANTITUMOR ACTIVITY AND FOR CURING TUMOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP 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-20070238767-A1 Thiazoline acid derivatives SLC30A5, SLC30A7, SLC39A7 XDH 157/4885CSNK1A1 3957/4885CLK4 4042/4885

“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.