SCHEMBL1854069

SCHEMBL1854069

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
PPARG P37231 2/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
TNK2 Q07912 1/20 0.35
PTGES O14684 1/20 0.35
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.33
CXCR3 P49682 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ACACB O00763 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
SCHEMBL1853074 0.89 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PPARG
SCHEMBL4324660 0.86 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1856008 0.86 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1856169 0.86 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855190 0.86 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1854950 0.84 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855798 0.83 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12PPARG
SCHEMBL1851511 0.81 MLYCD (0.46) PPARG
SCHEMBL1853956 0.81 MLYCD (0.46) PPARG
SCHEMBL5040477 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PPARG

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.