SCHEMBL2853148

SCHEMBL2853148

CCCCc1ccc(C#Cc2ccc(CNc3ccc(C(=O)OC)c(F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
MDH1 P40925 2/20 0.42
RARB P10826 2/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PLK1 P53350 3/20 0.41
EGFR P00533 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
PTPN11 Q06124 1/20 0.40
PTPRO Q16827 1/20 0.40
PPARA Q07869 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL1810486 0.93 PPARA (0.46) HIF1AMDH1ALDH1A1HPGDPLK1
SCHEMBL2851976 0.91 RARB (0.52) HIF1ARARBRARARARGALDH1A1
SCHEMBL1814690 0.83 PPARA (0.55) RARBRARARARGALDH1A1HPGD
SCHEMBL5598223 0.80 PLK1 (0.50) RARBRARARARGALDH1A1HPGD
SCHEMBL1813098 0.79 PPARA (0.52) HIF1AALDH1A1HPGDEGFRCA1
SCHEMBL2851539 0.76 MAPT (0.60) ALDH1A1HPGDCA1CA2
SCHEMBL11247330 0.76 CRBN (0.47) RARBRARARARGPLK1
SCHEMBL20178620 0.76 RARB (0.57) RARBRARARARGPPARA
SCHEMBL2858458 0.76 RARB (0.57) RARBRARAALDH1A1HPGDPLK1
SCHEMBL5598090 0.75 PLK1 (0.47) RARBRARARARGPLK1PTPN11

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-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-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 HIF1A 1451/4885MDH1 893/4885RARB 4697/4885

“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.