SCHEMBL1858145

SCHEMBL1858145

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccsc2)C(=O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MLYCD O95822 1/20 0.46
CA2 P00918 1/20 0.45
HDAC3 O15379 5/20 0.43
FOLH1 Q04609 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL1860815 0.89 NAAA (0.50) NAAAL3MBTL1TMEM97SIGMAR1HDAC3
SCHEMBL1859658 0.87 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1856912 0.87 TMEM97 (0.60) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1857574 0.87 NAAA (0.57) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1853512 0.87 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1851125 0.87 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1852914 0.85 NAAA (0.56) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1853875 0.84 ALDH1A1 (0.55) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1855930 0.84 NAAA (0.53) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1851652 0.84 HDAC1 (0.57) NAAAL3MBTL1TMEM97SIGMAR1THRA

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 8 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
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 684/4885L3MBTL1 2368/4885TMEM97 2395/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885L3MBTL1 3623/4885TMEM97 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.