SCHEMBL3699652

SCHEMBL3699652

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)n(-c2cc(F)ccc2C)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
CHRNA7 P36544 1/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
ADORA1 P30542 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
SCHEMBL2834006 0.92 THRB (0.48) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL4125684 0.90 THRB (0.46) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL3700471 0.90 THRB (0.48) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL4125657 0.88 MAPT (0.53) THRBTP53MAPTKMT2AGAA
SCHEMBL3699441 0.85 MAPT (0.48) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL3695927 0.84 TP53 (0.55) THRBTP53MAPTKMT2AGAA
SCHEMBL3705067 0.84 TP53 (0.47) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL3707089 0.84 TP53 (0.47) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL3695660 0.83 TP53 (0.51) THRBCHRNA7TP53MAPTKMT2A
SCHEMBL3695444 0.83 TP53 (0.51) THRBCHRNA7TP53MAPTKMT2A

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 THRB 3537/4885CHRNA7 3364/4885TP53 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.