SCHEMBL138372

SCHEMBL138372

COc1ccccc1CNS(=O)(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2169793 0.80 KDM4E (0.69) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL14380629 0.79 CA2 (0.71) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL140452 0.79 MEN1 (0.55) HTTMEN1KMT2AGAALMNA
SCHEMBL139691 0.78 KDM1A (0.45) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL138368 0.77 LMNA (0.68) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL5597888 0.76 GAA (0.71) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL28701902 0.76 GFPT1 (0.43) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL4661701 0.76 GAA (0.72) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL29660937 0.76 GAA (0.72) KDM4EPOLBHTTMEN1KMT2A
SCHEMBL27768252 0.76 ALDH1A1 (0.63) KDM4EPOLBHTTGAAMAPT

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-20120059179-A1 PALLADIUM-CATALYZED ORTHO-FLUORINATION The Scripps Research Insitiute (US) 2012-03-08 US disclosed
WO-2010115098-A2 PALLADIUM-CATALYZED ORTHO-FLUORINATION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-07 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 (1 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-20120059179-A1 PALLADIUM-CATALYZED ORTHO-FLUORINATION POF1B, OCIAD2, ODC1 KDM4E 1258/4885POLB 685/4885HTT 2679/4885

“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.