SCHEMBL4035863

SCHEMBL4035863

Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CHRM4 P08173 1/20 0.44
FFAR1 O14842 10/20 0.41
NR1H4 Q96RI1 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL4032229 0.91 PROKR1 (0.43) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL5500683 0.87 PROKR1 (0.44) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL4026361 0.86 PPARD (0.49) PROKR1FFAR1PPARAPPARGPPARD
SCHEMBL4032777 0.86 PPARD (0.49) PROKR1FFAR1PPARAPPARGPPARD
SCHEMBL4027265 0.86 PPARA (0.47) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL4026963 0.86 PPARD (0.49) PROKR1FFAR1PPARAPPARGPPARD
SCHEMBL4030709 0.86 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL4033034 0.86 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL4031382 0.86 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAACHRM4
SCHEMBL27616088 0.86 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAACHRM4

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 14 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
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN 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
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN 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
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 (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 PROKR1 949/4885NPC1 199/4885ALDH1A1 2006/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PROKR1 949/4885NPC1 199/4885ALDH1A1 2006/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS PROKR1 614/4885NPC1 1014/4885ALDH1A1 1989/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA PROKR1 541/4885NPC1 1996/4885ALDH1A1 2089/4885

“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.