SCHEMBL5407423

SCHEMBL5407423

C[CH]c1c(F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
NFE2L2 Q16236 4/20 0.36
KCNH2 Q12809 2/20 0.34
P2RX7 Q99572 1/20 0.34
MAT2A P31153 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
KAT6A Q92794 1/20 0.33
TRPA1 O75762 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL18242098 0.87 P2RX7 (0.38) HSD11B1SLC22A12NFE2L2P2RX7
SCHEMBL18215497 0.84 NFE2L2 (0.38) HSD11B1SLC22A12NFE2L2KCNH2P2RX7
SCHEMBL725720 0.79 NFE2L2 (0.46) NFE2L2KCNH2MAT2A
SCHEMBL163605 0.79 SLC22A12 (0.41) HSD11B1SLC22A12NFE2L2PTGES2KAT6A
SCHEMBL21135913 0.79 SLC22A12 (0.38) HSD11B1SLC22A12NFE2L2PTGES2KAT6A
Fluoride SCHEMBL31028112 0.78 SLC22A12 (0.40) HSD11B1SLC22A12NFE2L2PTGES2KAT6A
SCHEMBL28038223 0.77 SLC22A12 (0.41) HSD11B1SLC22A12NFE2L2P2RX7PTGES2
SCHEMBL12641533 0.76 NFE2L2 (0.38) HSD11B1SLC22A12NFE2L2KCNH2MAT2A
SCHEMBL20086556 0.76 P2RX7 (0.37) HSD11B1SLC22A12NFE2L2KCNH2P2RX7
SCHEMBL18215568 0.76 NFE2L2 (0.35) HSD11B1SLC22A12NFE2L2KCNH2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS HSD11B1 3332/4885SLC22A12 3299/4885NFE2L2 2140/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD HSD11B1 3322/4885SLC22A12 3786/4885NFE2L2 3092/4885

“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.