SCHEMBL1853672

SCHEMBL1853672

CCCCCCCCCCCCNC(=O)c1ccc(CN(C(=O)C(=O)O)c2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
NAAA Q02083 2/20 0.51
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 2/20 0.46
MLYCD O95822 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA2 P00918 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 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
SCHEMBL1857734 0.90 NAAA (0.61) TMEM97SIGMAR1NAAAHDAC3HDAC1
SCHEMBL1855088 0.89 FOLH1 (0.56) TMEM97SIGMAR1NAAAHDAC3HDAC1
SCHEMBL1853153 0.87 TMEM97 (0.53) TMEM97SIGMAR1NAAAL3MBTL1LTB4R2
SCHEMBL1851364 0.87 TMEM97 (0.53) TMEM97SIGMAR1NAAAL3MBTL1LTB4R2
SCHEMBL1239475 0.85 NAAA (0.53) TMEM97SIGMAR1NAAAHDAC3HDAC1
SCHEMBL1851066 0.85 NAAA (0.46) TMEM97SIGMAR1NAAAL3MBTL1LTB4R2
SCHEMBL1854693 0.83 HDAC3 (0.56) TMEM97SIGMAR1NAAAHDAC3HDAC1
SCHEMBL6022568 0.83 CA2 (0.50) TMEM97SIGMAR1NAAAL3MBTL1LTB4R2
SCHEMBL1861350 0.82 LTB4R2 (0.65) LTB4R2
SCHEMBL5652340 0.82 NAAA (0.58) TMEM97SIGMAR1NAAAHDAC3HDAC1

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-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
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
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 TMEM97 2395/4885SIGMAR1 2165/4885NAAA 684/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TMEM97 3884/4885SIGMAR1 4339/4885NAAA 1643/4885

“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.