SCHEMBL4671673

SCHEMBL4671673

CCCCCCc1ccc(C#Cc2ccc(CN(Cc3ccccc3C(F)(F)F)C(=O)C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
PTPN11 Q06124 1/20 0.43
PTPRO Q16827 1/20 0.43
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
FAAH O00519 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ACHE P22303 1/20 0.39
EP300 Q09472 1/20 0.39
KAT5 Q92993 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
STAT3 P40763 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 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
SCHEMBL1854389 0.90 FFAR1 (0.47) FFAR1PTPN11PTPROPLK1PLK3
SCHEMBL1852716 0.90 FFAR1 (0.47) FFAR1PTPN11PTPROPLK1PLK3
SCHEMBL4671671 0.87 FFAR1 (0.46) FFAR1PTPN11PTPROPLK1FAAH
SCHEMBL4314702 0.85 PTPN11 (0.48) FFAR1PTPN11PTPROPLK1PLK3
SCHEMBL4672519 0.85 PTPN11 (0.48) FFAR1PTPN11PTPROPLK1PLK3
SCHEMBL1733849 0.85 PTPN11 (0.48) FFAR1PTPN11PTPROPLK1PLK3
SCHEMBL1857139 0.85 MEN1 (0.44) KDM4EMEN1KMT2ATDP1
SCHEMBL4965330 0.84 PTGES (0.47) FFAR1PTPN11PTPROPLK1HDAC1
SCHEMBL1853577 0.81 PTGES (0.47) FFAR1PTPN11PTPROPLK1HDAC1
SCHEMBL1852821 0.80 PTGES (0.59) FFAR1PTPN11PTPROPLK1

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 6 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
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO 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
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA FFAR1 2136/4885PTPN11 458/4885PTPRO 86/4885

“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.