SCHEMBL6522219

SCHEMBL6522219

Nc1ccc(O[C@H](CCO)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.36
MAOB P27338 5/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
APP P05067 4/20 0.34
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNK2 O95069 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
OGA O60502 1/20 0.32
MGLL Q99685 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
SCHEMBL6526621 0.86 APP (0.39) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL6522216 0.81 PARP10 (0.50) MAOBTSHRALDH1A1
SCHEMBL6529928 0.80 TDP1 (0.41) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL6519698 0.80 TDP1 (0.41) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL9428488 0.78 SLC2A1 (0.39) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL6521631 0.76 TDP1 (0.41) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL11706950 0.74 TDP1 (0.40) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL30584046 0.71 TDP1 (0.44) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL9642543 0.70 TDP1 (0.42) TDP1MAOBTSHRALDH1A1CYP3A4
SCHEMBL12818771 0.69 TDP1 (0.40) TDP1MAOBTSHRALDH1A1CYP3A4

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
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL TDP1 3029/4885MAOB 1853/4885TSHR 854/4885

“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.