SCHEMBL2855320

SCHEMBL2855320

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)c3ccc(O)nc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
FFAR1 O14842 2/20 0.42
PLA2G4A P47712 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PTGIR P43119 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PTPN11 Q06124 1/20 0.40
PTPRO Q16827 1/20 0.40
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
PPP1CC P36873 1/20 0.40
POLB P06746 1/20 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
SCHEMBL13708345 0.91 ACACB (0.40) LPAR1LPAR2PLA2G4ATP53MAPT
SCHEMBL5986339 0.89 ACACB (0.41) THRBTP53MAPTPTPN11PTPRO
SCHEMBL2858233 0.85 ACACB (0.46) LPAR1LPAR2THRATHRBFFAR1
SCHEMBL4464485 0.81 STAT3 (0.42) LPAR1LPAR2THRATHRBLTB4R2
SCHEMBL1734728 0.79 LTB4R2 (0.53) LPAR1LPAR2THRATHRBFFAR1
SCHEMBL1813162 0.77 FFAR1 (0.49) THRATHRBFFAR1LTB4R2PTPN11
SCHEMBL2853145 0.77 LTB4R2 (0.47) LPAR1LPAR2THRATHRBFFAR1
SCHEMBL1816630 0.77 PTGES (0.55) LPAR1LPAR2THRATHRBFFAR1
SCHEMBL2856077 0.77 KDM4E (0.48) LPAR1LPAR2FFAR1LTB4R2PTGIR
SCHEMBL13708350 0.76 ACACB (0.47) LPAR1LPAR2PLA2G4ATP53MAPT

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 12 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-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
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 LPAR1 653/4885LPAR2 854/4885THRA 1634/4885

“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.