SCHEMBL2857129

SCHEMBL2857129

CC1(C)OC(=O)c2cc(N(Cc3ccc(C#Cc4ccc(Cl)cc4)cc3)C(=O)CCC3CCCC3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
STAT3 P40763 3/20 0.35
STAT1 P42224 1/20 0.35
STAT5B P51692 1/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 1/20 0.32
PTGES O14684 1/20 0.32
POLB P06746 1/20 0.32
LTC4S Q16873 1/20 0.32

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
SCHEMBL2854916 0.94 CNR2 (0.36) CNR2MEN1KMT2ASTAT3STAT1
SCHEMBL13711653 0.93 LTB4R2 (0.40) CNR2MEN1KMT2ASTAT3STAT1
SCHEMBL2858908 0.90 PTPN11 (0.36) CNR2LTB4R2ALDH1A1POLBSLC6A4
SCHEMBL2856977 0.87 CNR2 (0.51) CNR2NR1H4
SCHEMBL2855293 0.86 FFAR1 (0.37) LTB4R2
SCHEMBL13711732 0.86 LTB4R2 (0.40) CNR2MEN1KMT2ASTAT3STAT1
SCHEMBL2468565 0.86 LTB4R2 (0.39) STAT3STAT1STAT5BLTB4R2PTGES
SCHEMBL4457062 0.85 SLC6A4 (0.35) LTB4R2ALDH1A1SLC6A4HTR5A
SCHEMBL2861881 0.85 LTB4R2 (0.40) CNR2KMT2ASTAT3LTB4R2ALDH1A1
SCHEMBL2857283 0.85 PTGES (0.39) CNR2STAT3ALDH1A1NR1H4PTGES

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-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 CNR2 198/4885MEN1 3874/4885KMT2A 2331/4885

“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.