SCHEMBL1749924

SCHEMBL1749924

CCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](OCC)C(=O)N3CCC(C)CC3)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
FLT3 P36888 4/20 0.35
TYRO3 Q06418 4/20 0.35
MERTK Q12866 4/20 0.35
GAS6 Q14393 4/20 0.35
ADAM17 P78536 1/20 0.34
KIFC1 Q9BW19 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MLNR O43193 2/20 0.33
GAA P10253 1/20 0.33
ADRB3 P13945 1/20 0.32
MAPT P10636 1/20 0.32
P2RY12 Q9H244 1/20 0.31
PLG P00747 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1750593 0.92 CYP2D6 (0.34) MAP4K4FLT3TYRO3MERTKGAS6
SCHEMBL5762207 0.92 CYP2D6 (0.34) MAP4K4FLT3TYRO3MERTKGAS6
SCHEMBL1749618 0.91 QPCT (0.36) MAP4K4FLT3TYRO3MERTKGAS6
SCHEMBL3949408 0.90 PLG (0.36) GAAADRB3MAPTPLGHPGD
SCHEMBL1750943 0.85 PPARA (0.42) NPC1RAB9AALDH1A1
SCHEMBL1751877 0.85 USP30 (0.36) MAP4K4NPC1RAB9AALDH1A1GAA
SCHEMBL1749462 0.85 PPARA (0.42) NPC1RAB9AALDH1A1
SCHEMBL1749698 0.85 NPC1 (0.38) FLT3TYRO3MERTKGAS6KIFC1
SCHEMBL1750232 0.85 PPARA (0.42) NPC1RAB9AALDH1A1
SCHEMBL3948253 0.84 PLG (0.36) GAAADRB3MAPTPLGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 MAP4K4 3097/4885FLT3 2084/4885TYRO3 1393/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA MAP4K4 2841/4885FLT3 2120/4885TYRO3 1079/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA MAP4K4 2918/4885FLT3 1723/4885TYRO3 1388/4885

“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.