SCHEMBL1749602

SCHEMBL1749602

CCO[C@@H](Cc1ccc(-c2csc(CNCC(=O)CCc3c[nH]c4ccccc34)c2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CDK4 P11802 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1749598 1.00 KMT2A (0.41) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL5793693 0.86 CDK4 (0.55) MAPTMAPK1NPSR1CDK4SMN1; SMN2
SCHEMBL1749599 0.86 CDK4 (0.55) MAPTMAPK1NPSR1CDK4SMN1; SMN2
SCHEMBL1749562 0.85 PPARA (0.43) PPARGPPARA
SCHEMBL2217322 0.81 PTPRF (0.41) PPARGPPARA
SCHEMBL1750019 0.81 PTPRF (0.41) PPARGPPARA
SCHEMBL1749609 0.77 PTPRF (0.42) PPARGPPARA
SCHEMBL1750609 0.77 HDAC1 (0.34) PPARGPPARA
SCHEMBL1750606 0.77 HDAC1 (0.34) PPARGPPARA
SCHEMBL1749931 0.76 PPARA (0.42) PPARGPPARA

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 10 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-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US claimed
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 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
US-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US 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 KMT2A 3240/4885MAPT 4495/4885MEN1 4857/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA KMT2A 3407/4885MAPT 3818/4885MEN1 4604/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA KMT2A 3002/4885MAPT 3595/4885MEN1 4629/4885

“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.