SCHEMBL13530893

SCHEMBL13530893

O=S(=O)(Cc1ccccc1)Nc1nc(O)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.45
GLO1 Q04760 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
AR P10275 1/20 0.42
P4HTM Q9NXG6 1/20 0.40
S100A9 P06702 1/20 0.40
PGR P06401 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
SCHEMBL1223461 0.73 L3MBTL1 (0.45) KMT2AKDM4EALDH1A1
SCHEMBL23275658 0.73 KMT2A (0.48) KMT2AKDM4EALDH1A1HPGDGLO1
SCHEMBL13530677 0.72 POLB (0.48) KDM4E
SCHEMBL16235632 0.70 S100A9 (0.76) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL13530842 0.70 KDM4E (0.42) KMT2AKDM4EALDH1A1GLO1
SCHEMBL4354395 0.70 KMT2A (0.62) KMT2AALDH1A1HPGDCA1CA2
SCHEMBL13530863 0.69 ACLY (0.48) ALDH1A1
SCHEMBL4351613 0.69 KMT2A (0.53) KMT2AKDM4EALDH1A1HPGDGLO1
SCHEMBL4343432 0.68 KMT2A (0.51) KMT2AKDM4EALDH1A1HPGDGLO1
SCHEMBL4347770 0.68 KMT2A (0.63) KMT2AALDH1A1HPGDCA1CA2

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 KMT2A 3037/4885KDM4E 1768/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885KDM4E 1768/4885ALDH1A1 1302/4885

“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.