SCHEMBL1422925

SCHEMBL1422925

O=S(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KCNA3 P22001 1/20 0.35
PKM P14618 2/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18997009 0.80 KCNA3 (0.47) HDAC1HDAC2KCNA3ALDH1A1
SCHEMBL3767941 0.80 CA2 (0.38) CA1CA2MGLLALDH1A1MEN1
SCHEMBL5959986 0.78 KCNA3 (0.50) HDAC1HDAC2KCNA3ALDH1A1
SCHEMBL2057200 0.77 CA2 (0.31) CA1CA2ALDH1A1
SCHEMBL2057905 0.77 CA2 (0.31) CA1CA2
SCHEMBL2057646 0.77 CA2 (0.31) CA1CA2
SCHEMBL2057808 0.77 CA2 (0.31) CA1CA2ALDH1A1
SCHEMBL3766974 0.75 RAB9A (0.40) CA1CA2ALDH1A1NPC1MAPT
SCHEMBL2058048 0.75 CA1 (0.31) CA1CA2ALDH1A1
SCHEMBL2057558 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110137063-A1 COMPOUNDS AND PROCESSES FOR PRODUCTION OF RADIOPHARMACEUTICALS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 US disclosed
EP-2297070-A2 COMPOUNDS AND PROCESSES FOR PRODUCTION OF RADIOPHARMACEUTICALS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-23 EP disclosed
WO-2010000409-A2 COMPOUNDS AND PROCESSES FOR PRODUCTION OF RADIOPHARMACEUTICALS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-07 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-20110137063-A1 COMPOUNDS AND PROCESSES FOR PRODUCTION OF RADIOPHARMACEUTICALS PFAS, PFKFB2, PFKFB1 HDAC1 4737/4885HDAC2 4735/4885CA1 2328/4885

“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.