SCHEMBL476291

SCHEMBL476291

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)n(-c2cccnc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
CHRNA7 P36544 1/20 0.39
ALOX12 P18054 1/20 0.38

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
SCHEMBL3700028 0.89 KMT2A (0.44) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL16257497 0.87 TP53 (0.44) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL3695927 0.87 TP53 (0.55) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL4125657 0.86 MAPT (0.53) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL3695660 0.85 TP53 (0.51) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL3699441 0.85 MAPT (0.48) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL3695444 0.85 TP53 (0.51) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL20077903 0.84 KMT2A (0.48) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL2838912 0.84 PDE4B (0.53) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL3701832 0.83 TP53 (0.46) TP53KMT2AALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 TP53 4668/4885KMT2A 4776/4885ALDH1A1 1497/4885
US-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR TP53 4548/4885KMT2A 4584/4885ALDH1A1 2009/4885

“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.