SCHEMBL4028107

SCHEMBL4028107

Cc1ccc([C@@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1OC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.48
PPARD Q03181 10/20 0.47
PPARG P37231 6/20 0.47
PROKR1 Q8TCW9 2/20 0.44
BCL9 O00512 2/20 0.41
CTNNB1 P35222 2/20 0.41
CHRM4 P08173 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4027067 1.00 PPARA (0.48) PPARAPPARDPPARGPROKR1BCL9
SCHEMBL4027069 1.00 PPARA (0.48) PPARAPPARDPPARGPROKR1BCL9
SCHEMBL4030648 0.94 PPARA (0.53) PPARAPPARDPPARGPROKR1CHRM4
SCHEMBL4036323 0.91 PROKR1 (0.42) PPARAPPARDPPARGPROKR1BCL9
Cadaverine Tartrate SCHEMBL6235263 0.89 PPARA (0.40) PPARAPPARDPPARGPROKR1BCL9
SCHEMBL4027485 0.88 BCL9 (0.53) PPARAPPARDPPARGBCL9CTNNB1
SCHEMBL4026361 0.88 PPARD (0.49) PPARAPPARDPPARGPROKR1
SCHEMBL4030139 0.88 BCL9 (0.53) PPARAPPARDPPARGBCL9CTNNB1
SCHEMBL4026963 0.88 PPARD (0.49) PPARAPPARDPPARGPROKR1
SCHEMBL4028454 0.88 BCL9 (0.53) PPARAPPARDPPARGBCL9CTNNB1

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 16 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 claimed
US-20070281935-A1 Use PFIZER INC. (US) 2007-12-06 US claimed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US claimed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US claimed
EP-1753426-A2 RUMINANT TREATMENTS Pfizer Products Incorporated (US) 2007-02-21 EP claimed
WO-2005115389-A2 SPECIFIC PPAR AGONISTS FOR TREATING NEGATIVE ENERGY BALANCE PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP claimed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US claimed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 WO claimed
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-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-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (3 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 1/4885PPARD 3/4885PPARG 2/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PPARA 1/4885PPARD 3/4885PPARG 2/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS PPARA 700/4885PPARD 699/4885PPARG 704/4885

“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.