SCHEMBL2852877

SCHEMBL2852877

CCCCc1ccc(C#Cc2ccc(CN(C(=O)C3CCCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
CNR1 P21554 1/20 0.42
NR1H4 Q96RI1 16/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN11 Q06124 1/20 0.37
PTPRO Q16827 1/20 0.37

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
SCHEMBL2861508 0.94 CNR2 (0.42) CNR2CNR1NR1H4TDP1PTPN11
SCHEMBL13711679 0.93 NR1H4 (0.44) CNR2CNR1NR1H4TDP1
SCHEMBL2855107 0.87 PTPN11 (0.36) CNR2PTPN11PTPRO
SCHEMBL2859955 0.86 PTPN11 (0.43) PTPN11PTPRO
SCHEMBL2851643 0.84 PTPN11 (0.40) PTPN11PTPRO
SCHEMBL2861548 0.84 PTPN11 (0.41) PTPN11PTPRO
SCHEMBL2856977 0.83 CNR2 (0.51) CNR2CNR1NR1H4TDP1
SCHEMBL13513508 0.83 CNR2 (0.41) CNR2CNR1NR1H4TDP1
SCHEMBL2856906 0.83 PTPN11 (0.39) PTPN11PTPRO
SCHEMBL4457062 0.82 SLC6A4 (0.35)

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 8 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 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
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS CNR2 198/4885CNR1 180/4885NR1H4 443/4885

“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.