SCHEMBL5367278

SCHEMBL5367278

CN(Cc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cc2)c1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
AOC3 Q16853 7/20 0.40
ABCC1 P33527 2/20 0.40
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
RECQL P46063 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
CASP6 P55212 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39
CASP8 Q14790 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FABP3 P05413 1/20 0.37

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
SCHEMBL5367273 0.82 CTSV (0.40) SIRT2CTSVCTSLRECQLKDM4E
SCHEMBL5356017 0.77 KMT2A (0.52) AOC3ABCC1RECQLMEN1KMT2A
SCHEMBL29286232 0.77 CHRNB2 (0.51) MEN1KMT2AFABP5ALDH1A1
SCHEMBL5359635 0.75 AOC3 (0.50) SIRT2AOC3ABCC1HCAR2
SCHEMBL5355948 0.75 AOC3 (0.49) SIRT2AOC3ABCC1
SCHEMBL5360863 0.74 AOC3 (0.48) SIRT2AOC3ABCC1
SCHEMBL5358940 0.74 AOC3 (0.48) SIRT2AOC3ABCC1HCAR2
SCHEMBL5363526 0.74 AOC3 (0.48) SIRT2AOC3ABCC1HCAR2
SCHEMBL5361000 0.74 HSD17B2 (0.54) SIRT2AOC3ABCC1CTSVCTSL
SCHEMBL6473660 0.73 PTPN1 (0.44) ABHD6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US claimed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US claimed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 US claimed
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP claimed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO claimed
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US disclosed
US-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-04-26 US disclosed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US disclosed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 US disclosed
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 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-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics MITF, AHR, PAH ABHD6 163/4885SIRT2 452/4885AOC3 858/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA ABHD6 828/4885SIRT2 751/4885AOC3 3167/4885

“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.