SCHEMBL13530693

SCHEMBL13530693

CCOC(=O)CNC(=O)Nc1nc(O)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
SYK P43405 1/20 0.44
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NLRP3 Q96P20 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPID Q08752 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40

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
SCHEMBL13530696 0.80 AURKA (0.45) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL13530682 0.77 EPHX2 (0.49) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13530692 0.74 FGFR1 (0.45) ALDH1A1KDM4EHTTHPGDHSD17B10
SCHEMBL13383266 0.74 ADORA3 (0.40) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL482295 0.73 ALDH1A1 (0.46) MMP3MLYCDALDH1A1KDM4ENLRP3
SCHEMBL13383587 0.72 AURKA (0.37) SYKALDH1A1L3MBTL1PKM
SCHEMBL13530676 0.71 RAB9A (0.51) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL13476071 0.71 SYK (0.47) SYKALDH1A1KDM4EHTTHPGD
SCHEMBL13383758 0.71 LMNA (0.48) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL13530879 0.71 ROCK2 (0.53) ALDH1A1HTTHPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 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 (2 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MMP3 4433/4885SYK 2211/4885MLYCD 826/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MMP3 4433/4885SYK 2211/4885MLYCD 826/4885

“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.