SCHEMBL2853426

SCHEMBL2853426

CCCCCC(=O)N(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.61
PTPN11 Q06124 1/20 0.52
PTPRO Q16827 1/20 0.52
RARB P10826 6/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
AGTR1 P30556 1/20 0.47

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
SCHEMBL13711648 0.90 LTB4R2 (0.76) LTB4R2RARBMEN1ALDH1A1RARA
SCHEMBL2854924 0.89 RARB (0.55) LTB4R2PTPN11PTPRORARBMEN1
SCHEMBL2863830 0.88 LTB4R2 (0.47) LTB4R2PTPN11PTPROAGTR1
SCHEMBL2851668 0.86 LTB4R2 (0.51) LTB4R2PTPN11PTPRORARBPTGES
SCHEMBL1733830 0.84 PTPN11 (0.71) LTB4R2PTPN11PTPROAGTR1
SCHEMBL1733837 0.84 PTPN11 (0.60) LTB4R2PTPN11PTPROAGTR1
SCHEMBL1811178 0.82 RARB (0.73) PTPN11PTPRORARBMEN1ALDH1A1
SCHEMBL2402922 0.80 RARB (0.71) PTPN11PTPRORARBMEN1ALDH1A1
SCHEMBL2858047 0.80 PTPN11 (0.67) LTB4R2PTPN11PTPROAGTR1
SCHEMBL13513475 0.78 RARB (0.56) PTPN11PTPRORARBMEN1ALDH1A1

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
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

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 827/4885PTPN11 97/4885PTPRO 51/4885

“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.