SCHEMBL19699641

SCHEMBL19699641

CN(OS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1H3 Q13133 5/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NR1H2 P55055 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
ESR1 P03372 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.37
NR3C2 P08235 1/20 0.36
CA1 P00915 1/20 0.34
CA5A P35218 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL5857980 0.80 ALDH1A1 (0.39) MEN1KMT2AALDH1A1NR1H3PTGS1
SCHEMBL28498842 0.80 ALDH1A1 (0.39) MEN1KMT2AALDH1A1NR1H3PTGS1
SCHEMBL10496042 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1CA9CA12
SCHEMBL27994386 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1NR1H3PTGS1
SCHEMBL9888504 0.72 NR1H3 (0.49) MEN1KMT2AALDH1A1NR1H3PTGS1
SCHEMBL8503102 0.72 BCHE (0.46) ALDH1A1CA9CA12CA2HSD11B1
SCHEMBL6086796 0.71 MEN1 (0.39) MEN1KMT2AALDH1A1NR1H3NR1H2
Trifluoromethanesulfonic Acid SCHEMBL1005215 0.71 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NR1H3PTGS1
SCHEMBL22259449 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1NR1H3CA9
SCHEMBL8821206 0.70 CA1 (0.56) MEN1KMT2APTGS1PTGS2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3093/4885KMT2A 1922/4885ALDH1A1 993/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3209/4885KMT2A 1870/4885ALDH1A1 1067/4885

“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.