SCHEMBL4669852

SCHEMBL4669852

CCCCCCCCCCCc1nc(-c2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.58
HDAC1 Q13547 6/20 0.58
HDAC2 Q92769 6/20 0.58
SIRT2 Q8IXJ6 1/20 0.54
FFAR1 O14842 1/20 0.51
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
SPHK1 Q9NYA1 3/20 0.47

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
SCHEMBL1853227 0.89 HDAC8 (0.64) HDAC8HDAC1HDAC2SIRT2FFAR1
SCHEMBL1851267 0.87 HDAC8 (0.58) HDAC8HDAC1HDAC2SIRT2FFAR1
SCHEMBL27659345 0.85 L3MBTL1 (0.43) HDAC8HDAC1HDAC2FFAR1
SCHEMBL4671678 0.83 SPHK1 (0.45) HDAC1HDAC2S1PR1SPHK1
SCHEMBL1857841 0.83 HDAC8 (0.56) HDAC8HDAC1HDAC2SIRT2FFAR1
SCHEMBL1854710 0.82 HDAC1 (0.55) HDAC8HDAC1HDAC2SIRT2FFAR1
SCHEMBL6725294 0.80 S1PR1 (0.62) HDAC8HDAC1HDAC2SIRT2S1PR2
Hydrochloric Acid SCHEMBL1856614 0.79 S1PR1 (0.61) HDAC8HDAC1HDAC2SIRT2S1PR2
SCHEMBL5047433 0.78 SIRT2 (0.58) HDAC8HDAC1HDAC2SIRT2FFAR1
SCHEMBL4670229 0.78 TP53 (0.49)

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 8 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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP 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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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 (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 HDAC8 1977/4885HDAC1 2320/4885HDAC2 2178/4885

“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.