SCHEMBL5598480

SCHEMBL5598480

CCCCc1ccc(C#Cc2ccc(CNc3c(F)ccc(C(=O)O)c3CC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.45
RARB P10826 4/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
PTPN11 Q06124 1/20 0.43
PTPRO Q16827 1/20 0.43
MPL P40238 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.36

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 0.81 RARB (0.52) PLK1RARBRARARARGPTPN11
SCHEMBL1814690 0.81 PPARA (0.55) PLK1RARBRARARARGPTPN11
SCHEMBL5598384 0.77 PLK1 (0.54) PLK1RARBRARARARGPTPN11
SCHEMBL5598223 0.77 PLK1 (0.50) PLK1RARBRARARARGPTPN11
SCHEMBL2853174 0.76 PLK1 (0.51) PLK1RARBRARAPTPN11PTPRO
SCHEMBL5598090 0.74 PLK1 (0.47) PLK1RARBRARARARGPTPN11
SCHEMBL2853148 0.73 HIF1A (0.43) PLK1RARBRARARARGPTPN11
SCHEMBL2858458 0.72 RARB (0.57) PLK1RARBRARAPTPN11FFAR1
SCHEMBL1810486 0.72 PPARA (0.46) PLK1PTPN11PTPROPPARAFFAR1
SCHEMBL5598402 0.72 RARB (0.54) PLK1RARBRARARARGPTPN11

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 4382/4885RARB 4697/4885RARA 4493/4885

“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.