SCHEMBL1851285

SCHEMBL1851285

CCCCCCc1ccc(C#Cc2ccc(CN(C(=O)C(=O)O)C(C)(C)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
PTPRO Q16827 1/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
FFAR1 O14842 4/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGES O14684 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
GRM5 P41594 2/20 0.36
PLK1 P53350 1/20 0.35
STAT3 P40763 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
SCHEMBL1853078 0.89 PPARA (0.39) PTPN11PTPROSCN5ASCN9AFFAR1
SCHEMBL1853080 0.83 SCN5A (0.38) PTPN11PTPROSCN5ASCN9AFFAR1
SCHEMBL1855595 0.82 PTPN11 (0.44) PTPN11PTPROFFAR1FFAR4PTGES
SCHEMBL4669841 0.82 PTGES (0.47) PTPN11PTPROFFAR1FFAR4PTGES
SCHEMBL4671933 0.78 PTPN11 (0.43) PTPN11PTPROFFAR1FFAR4PTGES
SCHEMBL4671737 0.77 MMP2 (0.49) PTPN11PTPROFFAR1FFAR4PTGES
SCHEMBL6721403 0.77 PTPN11 (0.41) PTPN11PTPROFFAR1FFAR4PTGES
SCHEMBL4967354 0.77 PTGES (0.42) PTPN11PTPROFFAR1FFAR4PTGES
Acetic Acid SCHEMBL27738441 0.75 SCN5A (0.42) SCN5ASCN9APPARGPPARAPLK1
SCHEMBL1855408 0.74 SCN5A (0.40) SCN5ASCN9APLK1

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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
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
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (2 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTPN11 43/4885PTPRO 4/4885SCN5A 1221/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA PTPN11 458/4885PTPRO 86/4885SCN5A 1875/4885

“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.