SCHEMBL2853040

SCHEMBL2853040

CCCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3cc(C(=O)O)ccc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.40
PTPN11 Q06124 1/20 0.40
PTPRO Q16827 1/20 0.40
RARB P10826 2/20 0.39
CNR2 P34972 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
HTR5A P47898 1/20 0.36
SLC6A4 P31645 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36

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
SCHEMBL13711657 0.92 LTB4R2 (0.48) LTB4R2RARBPTGDR2HTR5ASLC6A4
SCHEMBL2851675 0.91 CNR2 (0.36) LTB4R2PTPN11PTPROCNR2PTGDR2
SCHEMBL2851668 0.86 LTB4R2 (0.51) LTB4R2PTPN11PTPRORARBCNR2
SCHEMBL1734720 0.85 PTPN11 (0.50) LTB4R2PTPN11PTPRO
SCHEMBL1734722 0.84 PTPN11 (0.49) LTB4R2PTPN11PTPRORARB
SCHEMBL1734729 0.84 RARB (0.46) LTB4R2PTPN11PTPRORARBCNR2
SCHEMBL13513443 0.83 LTB4R2 (0.40) LTB4R2RARBCNR2PTGDR2HTR5A
SCHEMBL2859097 0.79 PTPN11 (0.42) LTB4R2PTPN11PTPROCNR2HTR5A
SCHEMBL1733846 0.79 PTPN11 (0.51) PTPN11PTPRO
SCHEMBL2848964 0.79 PTPN11 (0.60) LTB4R2PTPN11PTPRO

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS LTB4R2 827/4885PTPN11 97/4885PTPRO 51/4885

“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.