SCHEMBL1447539

SCHEMBL1447539

COc1cc(OS(=O)(=O)C(F)(F)F)ccc1C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
HSD11B1 P28845 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
CPS1 P31327 1/20 0.44

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
SCHEMBL4698510 0.87 HTT (0.56) ALDH1A1HTTGAAPOLBHSD11B1
SCHEMBL3198514 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHTTKMT2AMAPT
SCHEMBL2196571 0.78 EPHX2 (0.57) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL13392240 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AGAAHSD11B1
SCHEMBL4109352 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHTTKMT2AGAA
SCHEMBL3187945 0.76 KMT2A (0.45) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL1447760 0.76 KDM4E (0.61) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL1448590 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHTTKMT2AGAA
SCHEMBL15317652 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AGAAPOLB
SCHEMBL15285967 0.75 KMT2A (0.60) ALDH1A1KDM4EKMT2AGAAMAPT

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
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 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-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ALDH1A1 423/4885KDM4E 3188/4885HTT 3458/4885

“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.