SCHEMBL1854798

SCHEMBL1854798

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccccc2F)C(=O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.54
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 4/20 0.47
ACKR3 P25106 1/20 0.47
MLYCD O95822 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
HTT P42858 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
SCHEMBL1853512 0.89 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1859658 0.89 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1851125 0.89 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1857767 0.89 NAAA (0.51) NAAATMEM97SIGMAR1HDAC3SMN1; SMN2
SCHEMBL1855494 0.87 EPHX2 (0.52) NAAATMEM97SIGMAR1MLYCDHDAC6
SCHEMBL1853858 0.86 NAAA (0.52) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL5048884 0.85 NAAA (0.55) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1856912 0.85 TMEM97 (0.60) NAAATMEM97SIGMAR1L3MBTL1MLYCD
SCHEMBL1857574 0.85 NAAA (0.57) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1852914 0.84 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3

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 10 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-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
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
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 684/4885TMEM97 2395/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885TMEM97 3884/4885SIGMAR1 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.