SCHEMBL4671672

SCHEMBL4671672

CCCc1ccc(C#Cc2coc3ccc(CN(CC(=O)O)Cc4ccc(C(F)(F)F)cc4)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.38
PTGES O14684 1/20 0.38
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MTNR1A P48039 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ACACB O00763 1/20 0.34
PSMB5 P28074 1/20 0.33
RORC P51449 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL1852638 0.88 PTGES (0.42) FFAR1PTGESPPARDPPARAMTNR1A
SCHEMBL5045150 0.85 FFAR1 (0.47) FFAR1PTGESPTGDR2ACACBPSMB5
SCHEMBL1854015 0.83 PTGES (0.38) FFAR1PTGESPPARDPPARAMTNR1A
SCHEMBL5140004 0.83 PTGES (0.35) FFAR1PTGESPPARDPPARAMTNR1A
SCHEMBL1854016 0.81 PTGES (0.35) FFAR1PTGESPPARDPPARAMTNR1A
SCHEMBL4974276 0.78 MTNR1A (0.32) FFAR1MTNR1AACACB
SCHEMBL4670156 0.78 PTPN11 (0.45) FFAR1PTGESPTGDR2RORCPTPN11
SCHEMBL5039404 0.77 ACACB (0.39) FFAR1PTGESMTNR1AACACBPTPN11
SCHEMBL5044116 0.77 FFAR1 (0.43) FFAR1PSMB5RORCMCHR1
SCHEMBL5048897 0.77 ACACB (0.35) FFAR1MTNR1AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 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 (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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA FFAR1 2136/4885PTGES 999/4885PPARD 2645/4885

“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.