SCHEMBL4670156

SCHEMBL4670156

CCCCCc1ccc(C#Cc2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
PTPRO Q16827 1/20 0.45
FFAR1 O14842 4/20 0.45
PTGES O14684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
PLK1 P53350 1/20 0.43
FAAH O00519 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
RORC P51449 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
SCHEMBL5045150 0.92 FFAR1 (0.47) PTPN11PTPROFFAR1PTGESFFAR4
SCHEMBL5045341 0.88 PPARA (0.44)
SCHEMBL4672605 0.87 FFAR1 (0.56) PTPN11PTPROFFAR1PTGESFFAR4
SCHEMBL4965330 0.85 PTGES (0.47) PTPN11PTPROFFAR1PTGESALDH1A1
SCHEMBL1853423 0.84 KCNH2 (0.44) PTPN11PTPROALDH1A1PLK1FAAH
SCHEMBL1858934 0.84 KCNH2 (0.44) PTPN11PTPROALDH1A1PLK1FAAH
SCHEMBL4314702 0.84 PTPN11 (0.48) PTPN11PTPROFFAR1PTGESALDH1A1
SCHEMBL4672519 0.84 PTPN11 (0.48) PTPN11PTPROFFAR1PTGESALDH1A1
Acetic Acid SCHEMBL27717389 0.84 PTPN11 (0.48) PTPN11PTPROFFAR1PTGESALDH1A1
SCHEMBL1733849 0.84 PTPN11 (0.48) PTPN11PTPROFFAR1PTGESALDH1A1

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 PTPN11 458/4885PTPRO 86/4885FFAR1 2136/4885

“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.