SCHEMBL5124208

SCHEMBL5124208

CCCCCCN1C(=O)/C(=N\NC(=O)Nc2ccc(F)cc2)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.35
RARB P10826 5/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDR P35968 1/20 0.34
PLK3 Q9H4B4 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RARA P10276 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5117283 1.00 PLK1 (0.35) PLK1RARBCA12CA1CA2
SCHEMBL14287370 1.00 PLK1 (0.35) PLK1RARBCA12CA1CA2
SCHEMBL14287368 0.99 CA12 (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5110445 0.99 CA12 (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5110441 0.99 CA12 (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5117762 0.96 POLB (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5113211 0.96 POLB (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5117766 0.96 POLB (0.35) PLK1RARBCA12CA1CA2
SCHEMBL5113207 0.96 POLB (0.35) PLK1RARBCA12CA1CA2
SCHEMBL14287373 0.96 POLB (0.35) PLK1RARBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA PLK1 2258/4885RARB 37/4885CA12 4873/4885

“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.