SCHEMBL1759101

SCHEMBL1759101

O=S(=O)(OCCOCCO)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4949086 0.89 CA2 (0.43) CA2CA1
SCHEMBL4949681 0.89 CA2 (0.43) CA2CA1
SCHEMBL4953881 0.89 CA2 (0.43) CA2CA1
SCHEMBL1759312 0.87 CA2 (0.42) TSHRMAPK1CA2CA1
Ammonia Solution, Strong SCHEMBL28986366 0.85 CA2 (0.41) CA2CA1
SCHEMBL1032931 0.82 CA2 (0.47) CA2CA1
SCHEMBL1759099 0.81 CA2 (0.39) CA2CA1
SCHEMBL18856639 0.79 CA2 (0.40) CA2CA1
SCHEMBL1759039 0.79 CA2 (0.38) CA2CA1
SCHEMBL13341075 0.78 CA2 (0.40) TSHRCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
EP-2499113-A1 HOMOGLUTAMIC ACID DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2012-09-19 EP disclosed
WO-2011057986-A1 HOMOGLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 WO disclosed
EP-2322500-A1 Fluoro-labeled homo-glutamate derivatives and precursors thereof Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
EP-2322514-A1 Homoglutamic acid and glutamic acid derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP 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-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA MEN1 137/4885KMT2A 1909/4885TSHR 3658/4885

“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.