SCHEMBL1855040

SCHEMBL1855040

CCCCCCCCCCC#Cc1cccc(CNCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
PTGES O14684 1/20 0.37
FAAH O00519 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CYP19A1 P11511 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL1850763 0.88 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL4966912 0.88 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL4963278 0.88 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL1852068 0.88 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL1859815 0.88 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL5045143 0.85 PTGES (0.45) SCN8AFFAR1PTGESS1PR2S1PR4
SCHEMBL5044281 0.81 KCNH2 (0.38) FFAR1FFAR4KCNH2CYP2D6PTGES
SCHEMBL6716909 0.81 FFAR1 (0.50) SCN8AFFAR1FFAR4CYP2D6CYP1A2
SCHEMBL5044096 0.80 CYP3A4 (0.43) SCN8AFFAR1FFAR4KCNH2CYP2D6
SCHEMBL1853105 0.79 PTGES (0.52) FFAR1FFAR4PTGES

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 5 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 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 3311/4885FFAR1 619/4885FFAR4 968/4885

“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.