SCHEMBL5360569

SCHEMBL5360569

COCCOCOc1ccc2cc(C(=O)N(C)Cc3cccc(-c4ccc(Nc5ccccc5C(=O)O)cc4)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.44
HSD17B2 P37059 5/20 0.43
LIMK2 P53671 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
HSD17B1 P14061 3/20 0.39
AOC3 Q16853 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MCHR1 Q99705 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ADORA2A P29274 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
SCHEMBL5440953 0.95 SIRT2 (0.46) SIRT2HSD17B2LIMK2HSD17B1ABHD6
SCHEMBL5355365 0.94 HSD17B2 (0.43) SIRT2HSD17B2LIMK2HSD17B1AOC3
SCHEMBL5365912 0.88 HSD17B2 (0.44) HSD17B2LIMK2HSD17B1AOC3ABHD6
SCHEMBL5358809 0.88 NR1H4 (0.45) SIRT2HSD17B2LIMK2HSD17B1AOC3
SCHEMBL5355385 0.88 AOC3 (0.45) SIRT2HSD17B2AOC3
SCHEMBL5374247 0.87 SMO (0.42) SIRT2HSD17B2AOC3
SCHEMBL5360945 0.86 HSD17B2 (0.37) SIRT2HSD17B2LIMK2HSD17B1MCHR1
SCHEMBL6268147 0.85 MEN1 (0.44) SIRT2HSD17B2
SCHEMBL5360567 0.85 CTSV (0.40) SIRT2CTSVCTSLPLGPLAU
SCHEMBL5359865 0.84 HSD17B2 (0.52) HSD17B2HSD17B1AOC3ABHD6

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 13 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-20070065471-A1 Cosmetic/dermatological applications of PPAR receptor activators GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2007-03-22 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-20070065471-A1 Cosmetic/dermatological applications of PPAR receptor activators GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2007-03-22 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 (3 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 SIRT2 452/4885HSD17B2 579/4885LIMK2 2657/4885
US-20070065471-A1 Cosmetic/dermatological applications of PPAR receptor activators PPARG, PPARA, PPARD SIRT2 658/4885HSD17B2 115/4885LIMK2 4349/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA SIRT2 751/4885HSD17B2 648/4885LIMK2 4666/4885

“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.