SCHEMBL352268

SCHEMBL352268

COC(=O)/C=C/c1c[nH]c2ccc(F)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.57
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
SPR P35270 1/20 0.46
CHRNA7 P36544 1/20 0.45
NOTUM Q6P988 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL352269 1.00 TDO2 (0.57) TDO2CAPN1CAPN2MEN1KMT2A
SCHEMBL19178972 0.84 TDO2 (0.78) TDO2CAPN1CAPN2MEN1KMT2A
SCHEMBL31448093 0.84 TDO2 (0.78) TDO2CAPN1CAPN2MEN1KMT2A
SCHEMBL3019510 0.84 MEN1 (0.70) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL350630 0.84 NR4A2 (0.57) TDO2MEN1KMT2ANPC1RAB9A
SCHEMBL3019508 0.84 MEN1 (0.70) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL350631 0.84 NR4A2 (0.57) TDO2MEN1KMT2ANPC1RAB9A
SCHEMBL15486351 0.80 KMT2A (0.62) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15486350 0.80 KMT2A (0.62) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7363105 0.80 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1

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 12 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

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 TDO2 4112/4885CAPN1 1780/4885CAPN2 1697/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD TDO2 4112/4885CAPN1 1780/4885CAPN2 1697/4885

“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.