SCHEMBL5451262

SCHEMBL5451262

FC(F)(F)c1ccc(-c2cc(CCl)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
NOTUM Q6P988 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
FAAH O00519 2/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 6/20 0.45
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACR P10323 1/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL2430229 0.85 TDP1 (0.39) EPHX2NOTUMTRPV1FAAHPPARD
SCHEMBL2983289 0.84 NOTUM (0.64) EPHX2NOTUMTRPV1FAAHPPARD
SCHEMBL4437276 0.84 EPHX2 (0.48) EPHX2NOTUMTRPV1FAAHPPARD
SCHEMBL2428467 0.83 RAB9A (0.45) EPHX2NOTUMTDP1L3MBTL1MAPT
SCHEMBL2427499 0.81 NOTUM (0.51) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL28946942 0.81 SIRT2 (0.48) EPHX2NOTUMTRPV1FAAHPPARD
SCHEMBL31434746 0.80 NOTUM (0.49) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL3968044 0.80 NOTUM (0.72) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL1963850 0.78 NOTUM (0.51) NOTUMPPARDPPARATDP1L3MBTL1
SCHEMBL29241069 0.78 NOTUM (0.51) NOTUMTDP1L3MBTL1MAPTHPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP disclosed
US-7056924-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-06-06 US disclosed
US-7001909-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-02-21 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
CN-1533388-A Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CVҽҩ���޹�˾ 2004-09-29 CN disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 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 (6 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-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP EPHX2 3188/4885NOTUM 725/4885TRPV1 548/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP EPHX2 3188/4885NOTUM 725/4885TRPV1 548/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP EPHX2 3188/4885NOTUM 725/4885TRPV1 548/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD EPHX2 2455/4885NOTUM 534/4885TRPV1 733/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG EPHX2 3347/4885NOTUM 1370/4885TRPV1 365/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA EPHX2 3244/4885NOTUM 2840/4885TRPV1 2630/4885

“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.