SCHEMBL1751058

SCHEMBL1751058

CCO[C@@H](Cc1ccc(-c2csc(CN(C)C(=O)CC3CCCC3)c2)cc1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.38
PPARA Q07869 8/20 0.34
PPARG P37231 6/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PPARD Q03181 4/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
HTR5A P47898 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A4 P31645 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
SCHEMBL1749928 0.91 PPARA (0.41) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1749929 0.91 PPARA (0.41) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1751480 0.91 HTR5A (0.38) AVPR1BPPARAPPARGALDH1A1KMT2A
SCHEMBL1751057 0.86 AVPR1B (0.36) AVPR1BPPARAPPARGALDH1A1KMT2A
SCHEMBL1751060 0.86 AVPR1B (0.36) AVPR1BPPARAPPARGALDH1A1KMT2A
SCHEMBL1750607 0.85 HDAC1 (0.35) PPARAPPARGALDH1A1KDM4EPPARD
SCHEMBL1749873 0.83 HDAC1 (0.37) AVPR1BPTPRFPTPN2PTPN1
SCHEMBL1749874 0.83 HDAC1 (0.37) AVPR1BPTPRFPTPN2PTPN1
SCHEMBL1751482 0.82 ALDH1A1 (0.35) AVPR1BPPARAPPARGALDH1A1KMT2A
SCHEMBL1751479 0.82 ALDH1A1 (0.35) AVPR1BPPARAPPARGALDH1A1KMT2A

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 AVPR1B 1887/4885PPARA 2/4885PPARG 1/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA AVPR1B 1553/4885PPARA 3/4885PPARG 1/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA AVPR1B 1668/4885PPARA 3/4885PPARG 1/4885

“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.