SCHEMBL1855672

SCHEMBL1855672

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
NAAA Q02083 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
NAMPT P43490 1/20 0.48
EPHX2 P34913 3/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
OPRK1 P41145 1/20 0.46
MLYCD O95822 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 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
SCHEMBL1854307 0.90 NAAA (0.48) CA2NAAATMEM97SIGMAR1NAMPT
SCHEMBL1853992 0.89 CA2 (0.46) CA2NAAAL3MBTL1TMEM97SIGMAR1
SCHEMBL1859658 0.88 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1857574 0.88 NAAA (0.57) CA2NAAAL3MBTL1TMEM97SIGMAR1
SCHEMBL1856912 0.88 TMEM97 (0.60) CA2NAAAL3MBTL1TMEM97SIGMAR1
SCHEMBL1851125 0.88 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1853512 0.88 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1852914 0.86 NAAA (0.56) CA2NAAAL3MBTL1TMEM97SIGMAR1
SCHEMBL1855930 0.84 NAAA (0.53) CA2NAAAL3MBTL1TMEM97SIGMAR1
SCHEMBL1851652 0.84 HDAC1 (0.57) NAAAL3MBTL1TMEM97SIGMAR1NAMPT

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-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-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 CA2 2960/4885NAAA 684/4885L3MBTL1 2368/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 CA2 2693/4885NAAA 1643/4885L3MBTL1 3623/4885

“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.