SCHEMBL1749308

SCHEMBL1749308

CC(C)(C)C(NC(=O)O)c1cccc(-c2ccc(C=O)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
MAPK1 P28482 1/20 0.36
WNT3A P56704 6/20 0.35
DHODH Q02127 2/20 0.35
BAZ2B Q9UIF8 1/20 0.34
FFAR1 O14842 1/20 0.34
RXRA P19793 1/20 0.34
NR4A2 P43354 1/20 0.34
GSK3B P49841 1/20 0.33
CTSA P10619 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 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
SCHEMBL2177211 0.84 DRD1 (0.43) CTSLCTSKRXRANR4A2CTSA
SCHEMBL15380733 0.84 MAPK1 (0.37) CTSLCTSKMAPK1DHODHBAZ2B
SCHEMBL66551 0.76 PSEN1 (0.36) CTSKMAPK1RXRACTSAROCK2
SCHEMBL2216638 0.72 HPGDS (0.49) WNT3A
SCHEMBL1749307 0.70 MEN1 (0.42) WNT3ABAZ2B
SCHEMBL28440723 0.70 HSD17B1 (0.63)
SCHEMBL2216636 0.70 BRD4 (0.40) BAZ2B
SCHEMBL1346048 0.70 KDM1A (0.56) MAPK1GSK3BROCK2
SCHEMBL186787 0.70 HPGDS (0.43)
SCHEMBL30382878 0.69 LDHA (0.52) BAZ2BFFAR1

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-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 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 CTSL 4135/4885CTSK 2184/4885MAPK1 2644/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA CTSL 4175/4885CTSK 2854/4885MAPK1 2286/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA CTSL 4178/4885CTSK 2066/4885MAPK1 2050/4885

“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.