SCHEMBL4575873

SCHEMBL4575873

CC(C)c1nc(-c2ccc(CNCCc3ccc(O)cc3)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR2 O95136 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
BCHE P06276 1/20 0.41
FFAR1 O14842 2/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL6112891 0.82 PPARD (0.56) PPARDPPARAHCAR2MAPT
SCHEMBL4575820 0.80 PPARA (0.47) PPARDPPARAFFAR1HDAC1HDAC8
SCHEMBL12525783 0.73 MAPT (0.60) PPARDPPARASPHK2SPHK1S1PR1
SCHEMBL5066650 0.70 ALDH1A1 (0.58) CA1CA2BCHEMAPT
SCHEMBL24142592 0.69 BCHE (0.66) CA1CA2BCHEHDAC1MAPT
SCHEMBL13960326 0.69 BCHE (0.70) CA1CA2BCHEHDAC1MAPT
SCHEMBL12126068 0.68 HTT (0.51) S1PR1S1PR3MAPT
SCHEMBL12188525 0.68 SMN1; SMN2 (0.57) MAPT
SCHEMBL8592523 0.68 HTT (0.51) PPARDPPARAS1PR1S1PR3MAPT
SCHEMBL19835873 0.68 PPARD (0.48) PPARDPPARAS1PR1S1PR3HCAR2

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
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885SPHK2 2029/4885

“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.