SCHEMBL4178463

SCHEMBL4178463

O=C(O)Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
TRPA1 O75762 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL4181332 0.96 HDAC3 (0.47) PPARDL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4180079 0.85 HDAC3 (0.44) PPARDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4178505 0.84 PPARD (0.47) PPARDL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4187154 0.84 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4194344 0.81 HDAC3 (0.48) PPARDL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4184082 0.80 PPARD (0.38) PPARDPPARAPPARG
SCHEMBL4183127 0.77 PPARD (0.61) PPARDL3MBTL1ALDH1A1PPARAPPARG
SCHEMBL4183424 0.77 HDAC3 (0.49) PPARDL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4184086 0.77 PPARD (0.52) PPARDL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL4183414 0.76 PPARD (0.38) PPARDSCN9APPARAPPARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US claimed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP claimed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD PPARD 3/4885L3MBTL1 4410/4885ALDH1A1 1696/4885

“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.