SCHEMBL1750827

SCHEMBL1750827

CCCCCCC(C)C(=O)NCc1cccc(-c2ccc(C(=O)OCC)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.41
P2RY12 Q9H244 3/20 0.38
ROCK2 O75116 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL1749621 0.80 NPC1 (0.46) HPGDSP2RY12MAPTKMT2ALMNA
SCHEMBL5359229 0.79 CDC25B (0.44) HPGDMAPTKMT2ALMNAMAPK1
SCHEMBL1750824 0.76 AOC3 (0.41) MAPTNPC1RAB9A
SCHEMBL5374062 0.76 ERAP2 (0.42) KMT2ALMNAERAP2ERAP1LNPEP
SCHEMBL5359079 0.76 ERAP2 (0.42) MAPTERAP2ERAP1LNPEPRAB9A
SCHEMBL4209446 0.74 ERAP2 (0.42) HPGDMAPTLMNAMAPK1ERAP2
SCHEMBL4227732 0.74 ERAP2 (0.40) HPGDMAPTLMNAMAPK1ERAP2
SCHEMBL29596804 0.73 NPC1 (0.52) HPGDMAPTLMNANPC1RAB9A
SCHEMBL5567588 0.73 PPARG (0.46) ERAP2ERAP1LNPEPRAB9AGAA
SCHEMBL17335644 0.72 LMNA (0.41) HPGDMAPTLMNAMAPK1ERAP2

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 7 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

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 HPGDS 161/4885P2RY12 864/4885ROCK2 4220/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HPGDS 360/4885P2RY12 835/4885ROCK2 4381/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA HPGDS 240/4885P2RY12 712/4885ROCK2 4236/4885

“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.