SCHEMBL1852253

SCHEMBL1852253

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
TNK2 Q07912 1/20 0.42
PTPN11 Q06124 1/20 0.41
PTPRO Q16827 1/20 0.41
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
CCKBR P32239 2/20 0.36
PYGL P06737 1/20 0.36
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.35
CA4 P22748 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
SCHEMBL1854953 1.00 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855178 0.89 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855118 0.89 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1853166 0.89 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855022 0.89 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1853713 0.89 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851186 0.84 FFAR1 (0.62) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5044184 0.83 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1857978 0.83 ATM (0.47) FFAR1KCNH2
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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
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 claimed
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 claimed
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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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 (2 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 FFAR1 1052/4885FFAR4 1841/4885MMP2 1181/4885
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.