SCHEMBL4035897

SCHEMBL4035897

CC(C)(Oc1cccc(C2CCCN(C(=O)COc3cccc(C(F)(F)F)c3)C2)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.61
BCL9 O00512 15/20 0.59
CTNNB1 P35222 15/20 0.59
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
ENPP2 Q13822 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4026667 0.89 PPARA (0.62) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4026668 0.89 PPARA (0.62) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4034259 0.89 PPARA (0.62) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4036295 0.88 NPC1 (0.69) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4029047 0.88 PPARA (0.71) PPARABCL9CTNNB1KMT2A
SCHEMBL4027692 0.88 PPARA (0.63) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4032481 0.86 PPARA (0.74) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4032483 0.86 PPARA (0.74) PPARABCL9CTNNB1MAPTNPC1
SCHEMBL4029120 0.85 PPARA (0.78) PPARABCL9CTNNB1RAB9AALDH1A1
SCHEMBL4029117 0.85 PPARA (0.78) PPARABCL9CTNNB1RAB9AALDH1A1

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-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070281935-A1 Use PFIZER INC. (US) 2007-12-06 US disclosed
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants GOETZE LEOPOLD F 2007-10-04 US disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1765320-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS Pfizer Products Incorporated (US) 2007-03-28 EP disclosed
EP-1753426-A2 RUMINANT TREATMENTS Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
WO-2005115369-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
WO-2005115389-A2 SPECIFIC PPAR AGONISTS FOR TREATING NEGATIVE ENERGY BALANCE PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 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 (4 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD PPARA 1/4885BCL9 2684/4885CTNNB1 2280/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PPARA 1/4885BCL9 2684/4885CTNNB1 2280/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS PPARA 700/4885BCL9 3385/4885CTNNB1 995/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA PPARA 3/4885BCL9 3397/4885CTNNB1 1557/4885

“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.