SCHEMBL2853223

SCHEMBL2853223

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.45
FFAR1 O14842 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ACACB O00763 2/20 0.40

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
SCHEMBL13711647 0.92 LTB4R2 (0.53) LTB4R2LPAR1LPAR2TRPM8
SCHEMBL13708347 0.91 ACACB (0.42) ACACB
SCHEMBL2853695 0.88 PTPN11 (0.40) FFAR1ACACB
SCHEMBL1734728 0.86 LTB4R2 (0.53) LTB4R2FFAR1LPAR1LPAR2THRA
SCHEMBL2853044 0.83 LTB4R2 (0.48) LTB4R2FFAR1LPAR1LPAR2THRA
SCHEMBL13711665 0.83 LTB4R2 (0.43) LTB4R2TRPM8
SCHEMBL2853145 0.82 LTB4R2 (0.47) LTB4R2FFAR1LPAR1LPAR2THRA
SCHEMBL1813162 0.79 FFAR1 (0.49) LTB4R2FFAR1THRATHRB
SCHEMBL1816630 0.78 PTGES (0.55) LTB4R2FFAR1LPAR1LPAR2THRA
SCHEMBL13711671 0.78 LTB4R2 (0.64) LTB4R2

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
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
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 LTB4R2 827/4885FFAR1 91/4885LPAR1 653/4885

“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.