SCHEMBL2858233

SCHEMBL2858233

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)c3cn[nH]c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
FFAR1 O14842 1/20 0.42
PLA2G4A P47712 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PTGIR P43119 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL13708350 0.91 ACACB (0.47) ACACBLPAR1LPAR2PLA2G4A
SCHEMBL2859208 0.87 ACACB (0.43) ACACB
SCHEMBL2855320 0.85 LPAR1 (0.46) LPAR1LPAR2FFAR1PLA2G4ALTB4R2
SCHEMBL1734728 0.79 LTB4R2 (0.53) LPAR1LPAR2FFAR1LTB4R2THRA
SCHEMBL2856077 0.79 KDM4E (0.48) LPAR1LPAR2FFAR1LTB4R2PTGIR
SCHEMBL1813162 0.77 FFAR1 (0.49) FFAR1LTB4R2THRATHRB
SCHEMBL2853145 0.77 LTB4R2 (0.47) ACACBLPAR1LPAR2FFAR1LTB4R2
SCHEMBL1816630 0.77 PTGES (0.55) ACACBLPAR1LPAR2FFAR1LTB4R2
SCHEMBL13708345 0.76 ACACB (0.40) ACACBLPAR1LPAR2PLA2G4A
SCHEMBL2853044 0.75 LTB4R2 (0.48) ACACBLPAR1LPAR2FFAR1LTB4R2

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 7 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-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
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 ACACB 105/4885LPAR1 653/4885LPAR2 854/4885

“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.