SCHEMBL1854070

SCHEMBL1854070

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
TNK2 Q07912 1/20 0.38
PTGES O14684 1/20 0.35
PPARG P37231 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MDM2 Q00987 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4324666 0.94 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855191 0.94 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1856010 0.94 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1853074 0.91 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851063 0.87 FFAR1 (0.39) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851808 0.85 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4669842 0.85 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851396 0.85 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852611 0.85 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855706 0.85 FFAR1 (0.53) 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 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.