SCHEMBL1853858

SCHEMBL1853858

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccccc2OC)C(=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
ACHE P22303 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
TMEM97 Q5BJF2 2/20 0.50
APP P05067 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTT P42858 1/20 0.46
BCHE P06276 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 1/20 0.46

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
SCHEMBL1853512 0.88 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3HDAC1
SCHEMBL1859658 0.88 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3HDAC1
SCHEMBL1851125 0.88 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3HDAC1
SCHEMBL1852751 0.86 PPARG (0.47) NAAAACHESIGMAR1TMEM97HDAC3
SCHEMBL1854798 0.86 NAAA (0.54) NAAASIGMAR1TMEM97HDAC3HDAC1
SCHEMBL5048321 0.86 NAAA (0.53) NAAAACHESIGMAR1TMEM97APP
SCHEMBL1853750 0.86 NPC1 (0.62) NAAASIGMAR1TMEM97APPHDAC3
SCHEMBL1859810 0.84 NAAA (0.56) NAAASIGMAR1TMEM97HDAC3L3MBTL1
SCHEMBL1855494 0.83 EPHX2 (0.52) NAAASIGMAR1TMEM97HDAC6PLK1
SCHEMBL1857744 0.83 NAAA (0.53) NAAASIGMAR1TMEM97HDAC3HDAC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US 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

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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 NAAA 684/4885ACHE 1084/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885ACHE 3880/4885SIGMAR1 4339/4885

“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.