SCHEMBL3953809

SCHEMBL3953809

CCCCCCNC(=S)N(C)c1cccc(-c2ccc(CC(OCC)C(=O)N3CCOCC3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.37
AOC3 Q16853 5/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3943668 0.93 TACR2 (0.38) TACR2AOC3MEN1RAB9AKMT2A
SCHEMBL3953427 0.90 PLG (0.36) PPARGPPARAKMT2APTGS2
SCHEMBL3951400 0.86 TACR2 (0.41) TACR2SIRT2SIRT1NAPEPLDALOX15
SCHEMBL3945792 0.85 PLG (0.38) TACR2AOC3MEN1RAB9AKMT2A
SCHEMBL3949116 0.85 PTGS2 (0.36) PPARGPPARAPTGS2
SCHEMBL3946490 0.84 PLG (0.37) TACR2AOC3MEN1RAB9AKMT2A
SCHEMBL3949403 0.84 PLG (0.38) PTGS2
SCHEMBL3949408 0.83 PLG (0.36) PPARGPPARAPTGS2
SCHEMBL1749618 0.83 QPCT (0.36) PPARGPPARARAB9ANAPEPLD
SCHEMBL3949869 0.80 MLYCD (0.34) NAPEPLD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US claimed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US claimed
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US disclosed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP disclosed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 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 (2 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TACR2 1083/4885AOC3 2202/4885PPARG 1/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TACR2 1124/4885AOC3 2177/4885PPARG 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.