SCHEMBL5361015

SCHEMBL5361015

CCCCCCC(C)C(=O)NCc1cccc(-c2ccc(NCc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 1/20 0.44
PTPN11 Q06124 2/20 0.43
LNPEP Q9UIQ6 2/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
HIF1A Q16665 1/20 0.42
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PPARA Q07869 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
ANPEP P15144 1/20 0.39
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5360875 0.86 PTPN11 (0.44) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5371481 0.85 KCNB1 (0.42) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5367299 0.83 PTPN11 (0.46) PTPN11LNPEPERAP2ERAP1ALDH1A1
SCHEMBL5361041 0.82 FNTA (0.47) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5354737 0.81 KCNB1 (0.43) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5360954 0.80 ALOX15 (0.42) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5361008 0.78 AOC3 (0.47) PTPN11HIF1AFFAR1FFAR4AOC3
SCHEMBL5365598 0.78 PTPN11 (0.41) KCNB1PTPN11LNPEPERAP2ERAP1
SCHEMBL5362814 0.78 KCNB1 (0.42) KCNB1LNPEPERAP2ERAP1PPARG
SCHEMBL5359079 0.76 ERAP2 (0.42) PTPN11LNPEPERAP2ERAP1

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-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
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 KCNB1 507/4885PTPN11 847/4885LNPEP 4085/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA KCNB1 2228/4885PTPN11 686/4885LNPEP 4201/4885

“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.