SCHEMBL1856766

SCHEMBL1856766

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccccc2)C(=O)C(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
SIGMAR1 Q99720 7/20 0.57
TMEM97 Q5BJF2 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
HDAC3 O15379 4/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDE P14735 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 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
SCHEMBL1852326 1.00 NAAA (0.57) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1851613 1.00 NAAA (0.57) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1851028 0.91 NAAA (0.54) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1853972 0.89 MLYCD (0.52) NAAASIGMAR1TMEM97L3MBTL1MEN1
SCHEMBL1849810 0.89 MLYCD (0.52) NAAASIGMAR1TMEM97L3MBTL1MEN1
SCHEMBL1853512 0.88 NAAA (0.64) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1851125 0.88 NAAA (0.64) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1859658 0.88 NAAA (0.64) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL1853034 0.87 TMEM97 (0.47) NAAASIGMAR1TMEM97L3MBTL1HDAC3
SCHEMBL4317937 0.86 MLYCD (0.49) NAAASIGMAR1TMEM97L3MBTL1MEN1

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 3 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 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-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 (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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885SIGMAR1 4339/4885TMEM97 3884/4885

“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.