SCHEMBL4683641

SCHEMBL4683641

COc1ccc(Cn2nc(-c3ccc(C(F)(F)F)cc3)cc2CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
ASIC1 P78348 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACP1 P24666 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NCOR2 Q9Y618 2/20 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
SCHEMBL4681912 0.90 NPBWR1 (0.48) NPBWR1HSP90AA1HSP90AB1ASIC1MAPT
SCHEMBL14445949 0.89 GCGR (0.51) ASIC1MAPTSMN1; SMN2HDAC1
SCHEMBL13425461 0.86 MEN1 (0.53) NPBWR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL4682071 0.84 HDAC1 (0.50) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL5016834 0.79 CTSS (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4682039 0.79 MAPT (0.76) NPBWR1HSP90AA1ASIC1MAPTSMN1; SMN2
SCHEMBL14290129 0.79 MAPT (0.58) NPBWR1HSP90AA1HSP90AB1ASIC1MAPT
SCHEMBL22613652 0.78 MAPT (0.44) MAPTTP53SMN1; SMN2HDAC1KDR
SCHEMBL14290243 0.78 GCGR (0.49) ASIC1MAPTSMN1; SMN2HDAC1
SCHEMBL4682811 0.77 TLR8 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA NPBWR1 1248/4885HSP90AA1 206/4885HSP90AB1 283/4885

“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.