SCHEMBL2672608

SCHEMBL2672608

CO[C@@H]1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.74
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4982268 1.00 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8053414 1.00 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL2671532 1.00 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13376174 0.89 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL37456 0.89 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL37457 0.89 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12800214 0.89 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL17106654 0.89 UPP1 (0.59) UPP1ALDH1A1KMT2AGAAHPGD
SCHEMBL5182023 0.89 UPP1 (0.59) UPP1ALDH1A1KMT2AGAAHPGD
SCHEMBL6273837 0.89 UPP1 (0.76) UPP1CHRNB2CHRNA5CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 US disclosed
EP-0635517-B1 Process for Producing 1-(2'-deoxy-beta-D-erythropentofuranosyl)-5-trifluoromethyluracil Derivatives MITSUI CHEMICALS INC (JP) 2000-05-17 EP disclosed
EP-0635517-A1 Process for Producing 1-(2'-deoxy-beta-D-erythropentofuranosyl)-5-trifluoromethyluracil Derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-25 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-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA UPP1 369/4885CHRNB2 4094/4885CHRNA5 3473/4885

“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.