SCHEMBL1855799

SCHEMBL1855799

CCCCCCCCC#Cc1ccc(CN(C(=O)C(=O)O)C(C)(CCC)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP2 P08253 3/20 0.42
MMP12 P39900 1/20 0.42
TNK2 Q07912 1/20 0.37
PTGES O14684 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
KCNH2 Q12809 1/20 0.34
RORC P51449 1/20 0.33
PLK1 P53350 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
SCHEMBL1856409 0.90 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851396 0.86 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852903 0.86 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851808 0.86 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4669842 0.86 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852611 0.86 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1856130 0.83 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4671708 0.83 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855658 0.83 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6022055 0.82 FFAR1 (0.54) FFAR1FFAR4MMP2MMP12TNK2

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 3 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

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 968/4885MMP2 2960/4885

“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.