SCHEMBL2853145

SCHEMBL2853145

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)CC#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.47
FFAR1 O14842 3/20 0.46
ACACB O00763 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPRO Q16827 1/20 0.41

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
SCHEMBL13711646 0.93 LTB4R2 (0.55) LTB4R2LPAR1LPAR2PPARGPPARA
SCHEMBL13708343 0.90 ACACB (0.44) ACACB
SCHEMBL1734728 0.87 LTB4R2 (0.53) LTB4R2FFAR1THRATHRBLPAR1
SCHEMBL2855523 0.84 PTPN11 (0.43) FFAR1ACACBPTPN11PTPRO
SCHEMBL2853044 0.83 LTB4R2 (0.48) LTB4R2FFAR1ACACBTHRATHRB
SCHEMBL2853223 0.82 LTB4R2 (0.45) LTB4R2FFAR1ACACBTHRATHRB
SCHEMBL13711645 0.82 LTB4R2 (0.44) LTB4R2
SCHEMBL13513485 0.82 ACACB (0.47) FFAR1ACACBTHRATHRBPPARG
SCHEMBL1813162 0.81 FFAR1 (0.49) LTB4R2FFAR1THRATHRBPPARG
SCHEMBL1812730 0.81 PSMB5 (0.50) LTB4R2FFAR1THRATHRBPPARG

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 10 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
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 LTB4R2 827/4885FFAR1 91/4885ACACB 105/4885

“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.