SCHEMBL1855178

SCHEMBL1855178

CCCCCCCCC#Cc1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
PTPN11 Q06124 1/20 0.37
PTPRO Q16827 1/20 0.37
KCNH2 Q12809 3/20 0.36
TNK2 Q07912 1/20 0.36
CNR2 P34972 1/20 0.35
CDK8 P49336 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PYGL P06737 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 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
SCHEMBL1855118 1.00 FFAR1 (0.45) FFAR1FFAR4TSHRSMN1; SMN2MMP2
SCHEMBL1855548 0.89 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1853276 0.89 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1855673 0.89 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1854953 0.89 FFAR1 (0.51) FFAR1FFAR4TSHRMMP2MMP12
SCHEMBL1852253 0.89 FFAR1 (0.51) FFAR1FFAR4TSHRMMP2MMP12
SCHEMBL1855704 0.85 FFAR1 (0.54) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1852764 0.85 KCNH2 (0.44) FFAR1KCNH2
SCHEMBL1856989 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852471 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTPN11

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 968/4885TSHR 1096/4885

“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.