SCHEMBL1854062

SCHEMBL1854062

CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2ccc(Oc3ccccc3)cc2)C(=O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
TMEM97 Q5BJF2 4/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
STAT3 P40763 1/20 0.45
PTGES O14684 1/20 0.45
CETP P11597 1/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL1856151 0.96 NAAA (0.47) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL1855162 0.92 NAAA (0.60) NAAASIGMAR1TMEM97SMN1; SMN2
SCHEMBL1854478 0.91 SIGMAR1 (0.53) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL1859810 0.91 NAAA (0.56) NAAASIGMAR1TMEM97STAT3
SCHEMBL1854504 0.90 SIGMAR1 (0.49) NAAASIGMAR1TMEM97STAT3PTGES
SCHEMBL1854334 0.90 SIGMAR1 (0.54) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL5045478 0.89 NAAA (0.54) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL1858834 0.88 NAAA (0.52) NAAASIGMAR1TMEM97SMN1; SMN2
SCHEMBL1850770 0.88 NAAA (0.52) NAAASIGMAR1TMEM97SMN1; SMN2
SCHEMBL1857222 0.87 NAAA (0.55) NAAASIGMAR1TMEM97SMN1; SMN2

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-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
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
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 684/4885SIGMAR1 2165/4885TMEM97 2395/4885
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.