SCHEMBL2861555

SCHEMBL2861555

CCCCc1ccc(C#Cc2ccc(CN(C(=O)CC(C)(C)C)c3ccc(F)c(C(=O)OC)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
PTPRO Q16827 1/20 0.46
LTB4R2 Q9NPC1 6/20 0.40
NR1H4 Q96RI1 6/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
STAT3 P40763 6/20 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
SCHEMBL13711746 0.92 LTB4R2 (0.46) LTB4R2NR1H4STAT3
SCHEMBL1734796 0.90 PTPN11 (0.55) PTPN11PTPROLTB4R2STAT3
SCHEMBL12626834 0.87 PTPN11 (0.53) PTPN11PTPROLTB4R2NPC1HPGD
SCHEMBL2859097 0.85 PTPN11 (0.42) PTPN11PTPROLTB4R2RAB9ASTAT3
SCHEMBL1812005 0.85 PTPN11 (0.47) PTPN11PTPROLTB4R2STAT3
SCHEMBL1812105 0.85 PTPN11 (0.55) PTPN11PTPROLTB4R2NPC1HPGD
SCHEMBL1811147 0.84 PTPN11 (0.56) PTPN11PTPROLTB4R2STAT3
SCHEMBL1813364 0.84 PTPN11 (0.51) PTPN11PTPROLTB4R2NPC1HPGD
SCHEMBL2859088 0.83 PTPN11 (0.42) PTPN11PTPROLTB4R2HPGDSTAT3
SCHEMBL1815735 0.82 PTPN11 (0.67) PTPN11PTPROSTAT3

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 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.