SCHEMBL1853472

SCHEMBL1853472

CCCCCCCCC#Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN8A Q9UQD0 1/20 0.39
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 2/20 0.36
EPHX2 P34913 5/20 0.36
PPARG P37231 3/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34

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
SCHEMBL1851716 1.00 FFAR1 (0.44) FFAR1FFAR4KDM4EALDH1A1HTT
SCHEMBL4963278 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1SCN8AMMP2
SCHEMBL1859815 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1SCN8AMMP2
SCHEMBL4966912 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1SCN8AMMP2
SCHEMBL1852068 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1SCN8AMMP2
SCHEMBL1850763 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1SCN8AMMP2
SCHEMBL6783491 0.83 FFAR1 (0.44) FFAR1FFAR4KDM4EALDH1A1TDP1
SCHEMBL6716853 0.83 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1855384 0.82 ACHE (0.43) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1853979 0.80 KDM4E (0.49) KDM4EALDH1A1HTTTDP1SCN8A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP 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-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
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 disclosed
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 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 FFAR1 619/4885FFAR4 968/4885KDM4E 249/4885

“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.