SCHEMBL2216636

SCHEMBL2216636

CN(C(=O)O)c1cccc(-c2ccc(C=O)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
MAP4K4 O95819 3/20 0.38
FYN P06241 2/20 0.38
HSD17B2 P37059 3/20 0.37
HSD17B1 P14061 2/20 0.37
LDHA P00338 1/20 0.36
HPGDS O60760 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL3693495 0.82 BRD4 (0.41) BRD4LIN28AMAP4K4FYNHSD17B2
SCHEMBL2174524 0.81 TRIM24 (0.49) HSD17B2HSD17B1ALDH1A1TRIM24TRIM33
SCHEMBL1749307 0.75 MEN1 (0.42) HPGDSBAZ2BKDM4EMITFALDH1A1
SCHEMBL28440723 0.75 HSD17B1 (0.63) MAP4K4FYNHSD17B2HSD17B1
SCHEMBL1346048 0.74 KDM1A (0.56) FYNHPGDS
SCHEMBL2718039 0.74 LDHA (0.52) LDHAHPGDSBAZ2BALDH1A1
SCHEMBL30382878 0.74 LDHA (0.52) LDHAHPGDSBAZ2BALDH1A1
SCHEMBL2216638 0.72 HPGDS (0.49) HPGDS
SCHEMBL13267891 0.71 KDM1A (0.53) MAP4K4FYNHPGDSALDH1A1SMN1; SMN2
SCHEMBL1400737 0.71 FYN (0.41) BRD4LIN28AMAP4K4FYNHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 US disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 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 (2 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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA BRD4 293/4885LIN28A 2779/4885MAP4K4 3045/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA BRD4 1777/4885LIN28A 4283/4885MAP4K4 2841/4885

“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.