SCHEMBL14633653

SCHEMBL14633653

CS(=O)(=O)c1cc(N)cc(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.37
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35
HTR6 P50406 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
PNMT P11086 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
AKR1C3 P42330 2/20 0.30
AKR1C2 P52895 2/20 0.30
ALDH3A1 P30838 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
SCHEMBL2437487 0.80 HTR6 (0.50) HTR6SMN1; SMN2ALDH1A1
SCHEMBL30633569 0.79 LOX (0.35) LOXNR1H2NR1H3PDE4APDE4B
SCHEMBL29903378 0.78 VNN1 (0.36) LOXFAAHALDH1A1LMNAAKR1C3
SCHEMBL21233207 0.77 PDE4A (0.46) HTR6NR1H2NR1H3PDE4APDE4B
SCHEMBL29639684 0.76 LCK (0.41) ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL22926107 0.76 LCK (0.41) ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL25409048 0.75 PTGS2 (0.44) NR1H2NR1H3
SCHEMBL2651077 0.74 G6PD (0.43) LOXG6PDIDEHTR6ALDH1A1
SCHEMBL1172197 0.74 L3MBTL1 (0.46) G6PDIDEHTR6SMN1; SMN2ALDH1A1
SCHEMBL2439961 0.74 ALDH3A1 (0.40) ALDH1A1LMNAALDH3A1

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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 LOX 3517/4885G6PD 885/4885IDE 3399/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 LOX 3309/4885G6PD 800/4885IDE 4622/4885

“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.