SCHEMBL5362333

SCHEMBL5362333

CN(C(=O)Nc1ccsc1)c1cccc(-c2ccc(Nc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.42
FABP4 P15090 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
GRIK1 P39086 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 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
SUCNR1 Q9BXA5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5366322 0.85 FTO (0.47) SIRT2FABP4SIRT1GRIK1TAS2R14
SCHEMBL5355393 0.78 LTB4R2 (0.45) SIRT2FABP4SIRT1TAS2R14KDM4E
SCHEMBL5360965 0.77 LTB4R2 (0.44) SIRT2FABP4SIRT1HPGD
SCHEMBL10186487 0.74 FABP4 (0.62) FABP4GRIK1TAS2R14ALDH1A1PTGS1
SCHEMBL8088220 0.73 FABP4 (0.73) SIRT2FABP4SIRT1TAS2R14KDM4E
SCHEMBL5365943 0.72 PNPLA2 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5363634 0.72 CYP2C9 (0.41) SIRT2FABP4SIRT1HPGD
SCHEMBL5360707 0.72 CYP2C9 (0.41) SIRT2FABP4SIRT1HPGD
SCHEMBL3439126 0.71 PPARG (0.44) HCAR2
SCHEMBL3439124 0.71 PPARG (0.44) HCAR2

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 SIRT2 452/4885FABP4 31/4885SIRT1 1363/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA SIRT2 751/4885FABP4 38/4885SIRT1 452/4885

“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.