SCHEMBL1859810

SCHEMBL1859810

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)C(=O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
SIGMAR1 Q99720 3/20 0.53
TMEM97 Q5BJF2 2/20 0.53
HDAC3 O15379 4/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STAT3 P40763 1/20 0.48
MCHR1 Q99705 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 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
SCHEMBL1854183 0.94 SIGMAR1 (0.58) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1853512 0.91 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1859658 0.91 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1851125 0.91 NAAA (0.64) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1854062 0.91 NAAA (0.51) NAAASIGMAR1TMEM97STAT3
SCHEMBL1854504 0.91 SIGMAR1 (0.49) NAAASIGMAR1TMEM97NPC1RAB9A
SCHEMBL1853750 0.89 NPC1 (0.62) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1854634 0.89 STAT3 (0.44) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL1239475 0.89 NAAA (0.53) NAAASIGMAR1TMEM97HDAC3NPC1
SCHEMBL5044268 0.88 NAAA (0.60) NAAASIGMAR1TMEM97HDAC3NPC1

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
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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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-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.