SCHEMBL1853689

SCHEMBL1853689

CCCCCCCCCCC#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.37
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
KCNH2 Q12809 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
RORC P51449 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL1850763 0.83 FFAR1 (0.49) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL1852068 0.83 FFAR1 (0.49) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL1859815 0.83 FFAR1 (0.49) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL4966912 0.83 FFAR1 (0.49) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL4963278 0.83 FFAR1 (0.49) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL6720907 0.82 KDM4E (0.35) KCNH2FFAR1FFAR4RORCLMNA
SCHEMBL5044384 0.81 PTGES2 (0.33) PTGES2KCNH2FFAR1FFAR4PPARG
SCHEMBL1857109 0.79 FFAR1 (0.38) S1PR1FFAR1FFAR4PPARGPPARA
SCHEMBL1855040 0.77 SCN8A (0.40) SCN8AS1PR2S1PR4S1PR1S1PR3
SCHEMBL5044096 0.77 CYP3A4 (0.43) SCN8AS1PR2S1PR4S1PR1S1PR3

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 6 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
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 SCN8A 3311/4885S1PR2 3271/4885S1PR4 3734/4885

“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.