SCHEMBL1852566

SCHEMBL1852566

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SERPINE1 P05121 4/20 0.36
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
TNK2 Q07912 1/20 0.34
BCL2A1 Q16548 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
SCHEMBL1854950 0.90 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1856130 0.88 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL4671708 0.88 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1855658 0.88 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1856008 0.79 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1855190 0.79 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1856169 0.79 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL4324660 0.79 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL5045610 0.79 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12PTGES
SCHEMBL1734792 0.79 PTPN11 (0.49) FFAR1FFAR4PTGESALOX5SERPINE1

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.