SCHEMBL1856989

SCHEMBL1856989

CCCCCCCCC#Cc1ccc(CN(Cc2cccc(Cl)c2)C(=O)C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
GRM5 P41594 1/20 0.39
PTGES O14684 3/20 0.39
TNK2 Q07912 1/20 0.37
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RIPK1 Q13546 1/20 0.35
SLC2A1 P11166 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL1855548 0.93 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GRM5
SCHEMBL1853276 0.93 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GRM5
SCHEMBL1855673 0.93 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GRM5
SCHEMBL1855704 0.89 FFAR1 (0.54) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1857817 0.88 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1856827 0.84 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852278 0.84 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1853459 0.83 PTGES (0.47) FFAR1FFAR4PTGESSLC2A1
SCHEMBL1855190 0.82 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1856169 0.82 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES

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.