SCHEMBL4671933

SCHEMBL4671933

CCCCc1ccc(C#Cc2ccc(CN(C(=O)C(=O)O)C(C)(C)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
PTPRO Q16827 1/20 0.43
PTGES O14684 2/20 0.42
FFAR1 O14842 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PSEN1 P49768 1/20 0.38
NR1H2 P55055 1/20 0.38
PLK1 P53350 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL1855595 0.96 PTPN11 (0.44) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL1853577 0.88 PTGES (0.47) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL1856409 0.87 FFAR1 (0.49) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL4965330 0.84 PTGES (0.47) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL4314702 0.84 PTPN11 (0.48) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL4672519 0.84 PTPN11 (0.48) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL1733849 0.84 PTPN11 (0.48) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL1854444 0.82 PTGES (0.48) PTPN11PTPROPTGESFFAR1PTGDR2
SCHEMBL1734792 0.80 PTPN11 (0.49) PTPN11PTPROPTGESFFAR1PLK1
SCHEMBL1856634 0.80 PTGES (0.41) PTPN11PTPROPTGESFFAR1PTGDR2

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 4 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
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 PTPN11 458/4885PTPRO 86/4885PTGES 999/4885

“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.