SCHEMBL1749181

SCHEMBL1749181

CCCCCCCC(=O)N(C)Cc1ccc(-c2ccc(C=O)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 8/20 0.36
BCHE P06276 7/20 0.36
EPHX2 P34913 2/20 0.35
RIPK1 Q13546 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1749944 0.82 APP (0.38) ACHEBCHEEPHX2ESR1ESR2
SCHEMBL1750288 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL1749479 0.77 PPARA (0.43)
SCHEMBL1749478 0.77 PPARA (0.43)
SCHEMBL1750306 0.75 RAB9A (0.43) HDAC1HDAC2HDAC8ALDH1A1RAB9A
SCHEMBL67768 0.72 HSD17B2 (0.43) HDAC3HDAC1HDAC2HDAC8RAB9A
SCHEMBL68847 0.71 KDM4E (0.43) ALDH1A1RAB9ASMN1; SMN2KMT2AEPHX2
SCHEMBL68848 0.71 KDM4E (0.43) ALDH1A1RAB9ASMN1; SMN2KMT2AEPHX2
SCHEMBL5764446 0.71 BCHE (0.36) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL1749182 0.70 MMP2 (0.43)

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-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US disclosed
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 US disclosed
US-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-22 US disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 US disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 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-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS PPARG, PPARA, PPARD HDAC3 372/4885HDAC1 443/4885HDAC2 464/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HDAC3 697/4885HDAC1 755/4885HDAC2 654/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA HDAC3 427/4885HDAC1 477/4885HDAC2 445/4885

“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.