SCHEMBL1852471

SCHEMBL1852471

CCCCCCCCCCC#Cc1ccc(CN(CCc2ccccc2F)C(=O)C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LPAR1 Q92633 5/20 0.38
LPAR5 Q9H1C0 4/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
PTPN11 Q06124 1/20 0.36
PTPRO Q16827 1/20 0.36
ACKR3 P25106 1/20 0.36
CNR2 P34972 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL1854215 1.00 FFAR1 (0.44) FFAR1FFAR4ALDH1A1LPAR1LPAR5
SCHEMBL1856843 0.89 FFAR1 (0.50) FFAR1FFAR4ALDH1A1LPAR1LPAR5
SCHEMBL1853941 0.89 FFAR1 (0.50) FFAR1FFAR4ALDH1A1LPAR1LPAR5
SCHEMBL1857694 0.86 FAAH (0.45) ALDH1A1LPAR1LPAR5
SCHEMBL1855704 0.84 FFAR1 (0.54) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1856827 0.84 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12PTPN11
SCHEMBL1854088 0.82 FFAR1 (0.42) FFAR1FFAR4ALDH1A1MMP2MMP12
SCHEMBL1849958 0.82 FFAR1 (0.42) FFAR1FFAR4ALDH1A1MMP2MMP12
SCHEMBL1855548 0.81 FFAR1 (0.44) FFAR1FFAR4LPAR1LPAR5MMP2
SCHEMBL1855673 0.81 FFAR1 (0.44) FFAR1FFAR4LPAR1LPAR5MMP2

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 968/4885ALDH1A1 3733/4885

“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.