SCHEMBL5598384

SCHEMBL5598384

CCCCc1ccc(C#Cc2ccc(CNc3ccc(C(=O)O)c(F)c3C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.54
PTPN11 Q06124 1/20 0.44
PTPRO Q16827 1/20 0.44
RARB P10826 3/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
PLK3 Q9H4B4 2/20 0.40
MPL P40238 1/20 0.39
METAP2 P50579 1/20 0.39
TRPM2 O94759 1/20 0.38

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
SCHEMBL2851976 0.80 RARB (0.52) PLK1PTPN11PTPRORARBRARA
SCHEMBL5598090 0.80 PLK1 (0.47) PLK1PTPN11PTPRORARBRARA
SCHEMBL5598480 0.77 PLK1 (0.45) PLK1PTPN11PTPRORARBRARA
SCHEMBL1814690 0.77 PPARA (0.55) PLK1PTPN11PTPRORARBRARA
SCHEMBL2853174 0.77 PLK1 (0.51) PLK1PTPN11PTPRORARBRARA
SCHEMBL5598223 0.76 PLK1 (0.50) PLK1PTPN11PTPRORARBRARA
SCHEMBL5598402 0.75 RARB (0.54) PLK1PTPN11PTPRORARBRARA
SCHEMBL11247334 0.74 PLK1 (0.51) PLK1RARBRARARARG
SCHEMBL2858458 0.73 RARB (0.57) PLK1PTPN11RARBRARA
SCHEMBL2853148 0.72 HIF1A (0.43) PLK1PTPN11PTPRORARBRARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLK1 4382/4885PTPN11 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.