Sugi Predict

Sugi Predict / Compounds / SCHEMBL2084837

SCHEMBL2084837

SCHEMBL2084837

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ APP P05067 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGER4 P35408 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ CYP11B1 P15538 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
SCHEMBL2081710 0.94 FFAR4 (0.39) MTNR1AMTNR1BFFAR1FAAHPTGS2
SCHEMBL2085568 0.94 PTGER1 (0.45) MTNR1AMTNR1BAPPFFAR1HPGD
SCHEMBL2084065 0.92 FAAH (0.38) MTNR1AMTNR1BFFAR1MEN1KMT2A
SCHEMBL2083153 0.92 CNR1 (0.41) PTPN1FAAHPTGS2
SCHEMBL2087508 0.92 CNR1 (0.39) PTPN1ALDH1A1FAAHPTGS2
SCHEMBL2087122 0.92 FAAH (0.38) PTPN1FAAHPTGS2
SCHEMBL2083383 0.91 CNR1 (0.39) PTPN1FAAHPTGS2
SCHEMBL2085477 0.91 CNR1 (0.38) HPGDPTPN1FAAHPTGS2
SCHEMBL2085545 0.91 CNR1 (0.40) PTPN1FAAHPTGS2
SCHEMBL2085085 0.90 CYP1A2 (0.41) FAAHPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 — — US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 — — EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 — — US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 — — EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 — — 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 (1 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD MTNR1A 186/4885MTNR1B 348/4885APP 4100/4885

“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.