SCHEMBL2856906

SCHEMBL2856906

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
LTB4R2 Q9NPC1 9/20 0.35
STAT3 P40763 4/20 0.34
ACAT1 P24752 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
NR1H2 P55055 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL2862192 0.93 PTPN11 (0.39) PTPN11PTPROLTB4R2STAT3ACAT1
SCHEMBL13711703 0.92 LTB4R2 (0.39) LTB4R2STAT3
SCHEMBL1814822 0.92 PTPN11 (0.38) PTPN11PTPROLTB4R2STAT3ACAT1
SCHEMBL2851643 0.90 PTPN11 (0.40) PTPN11PTPROLTB4R2STAT3ACAT1
SCHEMBL2861548 0.90 PTPN11 (0.41) PTPN11PTPROLTB4R2STAT3
SCHEMBL2859955 0.89 PTPN11 (0.43) PTPN11PTPROLTB4R2STAT3POLB
SCHEMBL2855107 0.86 PTPN11 (0.36) PTPN11PTPROLTB4R2POLB
SCHEMBL12656003 0.84 STAT3 (0.39) LTB4R2STAT3ACAT1
SCHEMBL2848860 0.83 PTPN11 (0.41) PTPN11PTPROLTB4R2STAT3
SCHEMBL2858906 0.83 PTPN11 (0.40) PTPN11PTPROLTB4R2STAT3ACAT1

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 PTPN11 97/4885PTPRO 51/4885LTB4R2 827/4885

“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.