SCHEMBL4029794

SCHEMBL4029794

COc1ccc([C@@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.45
CHRM4 P08173 1/20 0.43
MYC P01106 3/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL4027248 1.00 PROKR1 (0.45) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4029148 1.00 PROKR1 (0.45) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4031382 0.90 PROKR1 (0.49) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4030709 0.90 PROKR1 (0.49) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4033034 0.90 PROKR1 (0.49) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4029837 0.90 PROKR1 (0.47) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4029894 0.90 PROKR1 (0.47) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4030705 0.90 PROKR1 (0.47) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL4032751 0.89 PROKR1 (0.47) PROKR1CHRM4MYCALDH1A1NPC1
SCHEMBL27635307 0.86 PROKR1 (0.52) PROKR1CHRM4ALDH1A1NPC1GAA

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 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-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-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
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 (2 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 949/4885CHRM4 1606/4885MYC 4374/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PROKR1 949/4885CHRM4 1606/4885MYC 4374/4885

“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.