SCHEMBL351519

SCHEMBL351519

COC(=O)CCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
GFER P55789 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TSHR P16473 1/20 0.60
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP14 P50281 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
HTR2A P28223 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
NR4A2 P43354 1/20 0.57
GPR84 Q9NQS5 1/20 0.55
SNCA P37840 6/20 0.54
SLC6A4 P31645 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PYGL P06737 1/20 0.52
IDO1 P14902 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL7238856 0.92 GFER (0.66) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL13041745 0.87 MTNR1A (0.58) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL20769666 0.86 MTNR1A (0.60) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL852680 0.85 NPSR1 (0.64) TSHRHTR2ASLC6A4MEN1KMT2A
SCHEMBL31293145 0.85 MTNR1A (0.66) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL4878964 0.85 MTNR1A (0.69) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL351449 0.84 MPO (0.69) MTNR1AMTNR1BTSHRHTR2ATRPM8
SCHEMBL3018752 0.84 MTNR1A (0.70) MTNR1AMTNR1BHSD17B10TSHRHTR2A
SCHEMBL3030323 0.84 MTNR1A (0.64) MTNR1AMTNR1BHSD17B10HTR2ATRPM8
SCHEMBL892530 0.83 HPGD (0.69) MTNR1AMTNR1BGFERHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
EP-2114879-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-11 EP disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
WO-2008109700-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
WO-2008109700-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-6605633-B1 Such as 5-Bromo-2-phenyl-1H-indole-3-butanoic acid FOURNIER INDUSTRIE ET SANTE (FR) 2003-08-12 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 (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-20120015966-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD MTNR1A 191/4885MTNR1B 165/4885GFER 3479/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD MTNR1A 191/4885MTNR1B 165/4885GFER 3479/4885

“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.