SCHEMBL3699441

SCHEMBL3699441

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)n(-c2cccc(C)c2F)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.47
TP53 P04637 3/20 0.46
KMT2A Q03164 5/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX12 P18054 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP3A4 P08684 1/20 0.40
CTSA P10619 1/20 0.40

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
SCHEMBL3695660 0.92 TP53 (0.51) MAPTTHRBTP53KMT2AGAA
SCHEMBL4125657 0.91 MAPT (0.53) MAPTTHRBTP53KMT2AGAA
SCHEMBL3701832 0.90 TP53 (0.46) MAPTTHRBTP53KMT2AGAA
SCHEMBL3695444 0.88 TP53 (0.51) MAPTTHRBTP53KMT2AGAA
SCHEMBL3695927 0.88 TP53 (0.55) MAPTTHRBTP53KMT2AGAA
SCHEMBL3695102 0.86 TP53 (0.49) MAPTTHRBTP53KMT2AGAA
SCHEMBL476291 0.85 TP53 (0.46) MAPTTHRBTP53KMT2AGAA
SCHEMBL20077903 0.85 KMT2A (0.48) MAPTTHRBTP53KMT2AGAA
SCHEMBL2838912 0.85 PDE4B (0.53) MAPTTHRBTP53KMT2AGAA
SCHEMBL3699652 0.85 THRB (0.48) MAPTTHRBTP53KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MAPT 4258/4885THRB 3537/4885TP53 4668/4885

“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.