SCHEMBL1855826

SCHEMBL1855826

O=C(O)CCCCCCCCCCc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.51
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FFAR1 O14842 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RXRA P19793 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 1/20 0.45
FAAH O00519 4/20 0.43
CES1 P23141 3/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL1853124 0.88 HDAC1 (0.48) PTGFRFFAR1HDAC1HDAC8
SCHEMBL25172817 0.87 MAPT (0.62) PTGFRMAPTRXFP1FFAR1HDAC1
SCHEMBL23176837 0.87 MAPT (0.62) PTGFRMAPTRXFP1FFAR1HDAC1
SCHEMBL1856809 0.87 FAAH (0.51) MAPTHDAC1HDAC8FAAH
SCHEMBL4037431 0.86 HDAC1 (0.59) PTGFRMAPTRXFP1FFAR1HDAC1
SCHEMBL1853462 0.86 PLK1 (0.50) MAPTHDAC1HDAC8FAAH
SCHEMBL1855895 0.86 PLK1 (0.50) MAPTHDAC1HDAC8FAAH
SCHEMBL1858378 0.84 FFAR1 (0.47) PTGFRFFAR1HDAC1HDAC8RXRA
SCHEMBL1858689 0.83 ALDH1A1 (0.45) HDAC1HDAC8FAAHPPARG
SCHEMBL3810445 0.82 HDAC1 (0.55) PTGFRMAPTRXFP1FFAR1HDAC1

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-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
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 PTGFR 125/4885MAPT 4198/4885RXFP1 354/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTGFR 1129/4885MAPT 4575/4885RXFP1 1557/4885

“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.