SCHEMBL4698510

SCHEMBL4698510

COc1cc(OS(=O)(=O)C(F)(F)F)ccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 4/20 0.48
CPS1 P31327 2/20 0.48
HSD11B1 P28845 1/20 0.47
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL1447539 0.87 ALDH1A1 (0.57) HTTALDH1A1TSHRCPS1HSD11B1
SCHEMBL3198514 0.80 ALDH1A1 (0.51) HTTHPGDALDH1A1HSD11B1
SCHEMBL14661603 0.79 POLB (0.53) HPGDALDH1A1TSHRL3MBTL1POLB
SCHEMBL3187945 0.77 KMT2A (0.45) HPGDALDH1A1HSD11B1L3MBTL1LMNA
SCHEMBL1447932 0.76 OXTR (0.61) HTTHPGDALDH1A1TSHRPOLB
SCHEMBL7871104 0.76 HPGD (0.63) HTTHPGDALDH1A1TSHRGFER
SCHEMBL1447972 0.76 ALDH1A1 (0.63) HTTHPGDALDH1A1TSHRGFER
SCHEMBL22444626 0.75 ALDH1A1 (0.45) HTTHPGDALDH1A1HSD11B1LMNA
SCHEMBL15286110 0.75 ALDH1A1 (0.61) HTTHPGDALDH1A1TSHRGFER
SCHEMBL21650784 0.75 ALDH1A1 (0.61) HTTHPGDALDH1A1TSHRGFER

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-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 HTT 3458/4885HPGD 327/4885ALDH1A1 423/4885

“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.