SCHEMBL6527642

SCHEMBL6527642

NC(=O)c1ccc(OCC(O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.54
MAOB P27338 5/20 0.54
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
PARP15 Q460N3 5/20 0.49
PARP2 Q9UGN5 2/20 0.49
PARP14 Q460N5 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
AOC3 Q16853 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6524478 0.81 PARP10 (0.53) PARP10MAOBMAPTUSP2TSHR
SCHEMBL6527647 0.81 APP (0.45) MAOBMAPTTSHRLMNAPOLB
SCHEMBL31504297 0.80 LMNA (0.56) PARP10MAOBMAPTPARP15PARP2
SCHEMBL30151821 0.79 PARP10 (0.62) PARP10MAOBMAPTPARP15PARP2
SCHEMBL4688465 0.78 LMNA (0.57) PARP10MAOBMAPTPARP15PARP2
SCHEMBL30151899 0.78 PARP10 (0.61) PARP10MAOBMAPTUSP2TSHR
SCHEMBL4688462 0.78 LMNA (0.57) PARP10MAOBMAPTPARP15PARP2
SCHEMBL24352244 0.77 USP2 (0.50) MAPTUSP2TSHRKMT2ALMNA
SCHEMBL17341985 0.77 PARP10 (0.65) PARP10MAPTPARP15PARP2PARP14
SCHEMBL6523003 0.77 MAOB (0.62) PARP10MAOBMAPTUSP2TSHR

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 10 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
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO 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
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO 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 PARP10 3086/4885MAOB 1853/4885MAPT 4639/4885

“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.