SCHEMBL4185355

SCHEMBL4185355

O=C(O)Cc1ccc(C2CC2)c(OCCCc2nc(-c3ccc(C(F)(F)F)cc3)co2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PPARD Q03181 8/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PPARG P37231 5/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 7/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
LTB4R Q15722 2/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL4183437 0.85 NR1H4 (0.41) PPARDS1PR1S1PR3PPARGPPARA
SCHEMBL4184082 0.84 PPARD (0.38) PPARDS1PR1S1PR3PPARGPPARA
SCHEMBL4178469 0.83 PPARD (0.46) PPARDPTGDR2PPARGPPARA
SCHEMBL4183405 0.83 PPARA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4194344 0.83 HDAC3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4187929 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4178505 0.81 PPARD (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4173695 0.78 PPARA (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4185361 0.76 PPARD (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4183424 0.75 HDAC3 (0.49) PSEN1PPARDPTGDR2PPARGFFAR1

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 PSEN1 674/4885PSEN2 743/4885APH1B 1310/4885

“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.