SCHEMBL1857802

SCHEMBL1857802

CCCCCCc1ccc(C#Cc2ccc(CN(C(=O)C(=O)O)C(CC)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
PTPRO Q16827 1/20 0.42
PTGES O14684 1/20 0.40
PLK1 P53350 2/20 0.40
FAAH O00519 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ACACB O00763 1/20 0.35
NR1H2 P55055 1/20 0.35
PPARD Q03181 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
SCHEMBL4318975 1.00 PTPN11 (0.42) PTPN11PTPROPTGESPLK1FAAH
SCHEMBL1856634 0.96 PTGES (0.41) PTPN11PTPROPTGESPLK1FFAR1
SCHEMBL1852712 0.94 PLK1 (0.44) PLK1FAAHCYSLTR2CYSLTR1S1PR2
SCHEMBL1854358 0.93 PLK1 (0.43) PLK1FAAHCYSLTR2CYSLTR1S1PR2
SCHEMBL1855944 0.90 ACACB (0.40) PTGESFAAHFFAR1ACACBPPARD
SCHEMBL1856010 0.90 FFAR1 (0.46) PTPN11PTPROPTGESPLK1FFAR1
SCHEMBL4324666 0.90 FFAR1 (0.46) PTPN11PTPROPTGESPLK1FFAR1
SCHEMBL1855191 0.90 FFAR1 (0.46) PTPN11PTPROPTGESPLK1FFAR1
SCHEMBL4966647 0.86 PTGES (0.43) PTPN11PTPROPTGESPLK1FAAH
SCHEMBL1857664 0.85 PLK1 (0.50) PLK1PLK3

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 5 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
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 (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 PTPN11 43/4885PTPRO 4/4885PTGES 1550/4885

“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.