SCHEMBL1749498

SCHEMBL1749498

CCO[C@@H](Cc1ccc(-c2cccc(NC)c2)nc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ECE1 P42892 2/20 0.39
FFAR1 O14842 1/20 0.37
WNT3A P56704 3/20 0.37
DHODH Q02127 1/20 0.37
KDM1A O60341 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARD Q03181 1/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL1750947 0.94 CYP11B1 (0.43) CYP11B1CYP11B2PPARAPPARGECE1
SCHEMBL5761085 0.90 PPARA (0.51) PPARAPPARGECE1PPARD
SCHEMBL1750344 0.90 PPARA (0.51) PPARAPPARGECE1PPARD
SCHEMBL67896 0.78 SYK (0.48) CYP11B1CYP11B2WNT3ADHODHNPC1
SCHEMBL1750651 0.78 PPARG (0.38) CYP11B1CYP11B2PPARAPPARGECE1
SCHEMBL2176552 0.77 ITGB3 (0.44) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL1749698 0.76 NPC1 (0.38) PPARAPPARGNPC1RAB9A
SCHEMBL5761446 0.74 CYP11B1 (0.41) CYP11B1CYP11B2WNT3ADHODHKDM1A
SCHEMBL5761081 0.74 FFAR1 (0.52) FFAR1
SCHEMBL2177181 0.74 MGLL (0.50) PPARAPPARG

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 CYP11B1 334/4885CYP11B2 410/4885PPARA 2/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CYP11B1 325/4885CYP11B2 389/4885PPARA 3/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA CYP11B1 357/4885CYP11B2 426/4885PPARA 3/4885

“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.