SCHEMBL2983289

SCHEMBL2983289

OCc1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.64
TRPV1 Q8NER1 1/20 0.50
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL2431582 0.85 NOTUM (0.56) NOTUMTRPV1CHEK1AURKADAPK3
SCHEMBL4437276 0.84 EPHX2 (0.48) NOTUMTRPV1EPHX2PPARDPPARA
SCHEMBL5451262 0.84 EPHX2 (0.48) NOTUMTRPV1EPHX2PPARDPPARA
SCHEMBL2107054 0.83 NOTUM (0.62) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL2431070 0.81 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL28946942 0.81 SIRT2 (0.48) NOTUMTRPV1EPHX2PPARDPPARA
SCHEMBL31124025 0.80 NOTUM (0.71) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL1686268 0.79 KIF11 (0.54) NOTUMTRPV1CHEK1AURKADAPK3
SCHEMBL23863307 0.78 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL14069278 0.78 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417334-A Azole derivative containing isoxazole structure, and preparation method and application thereof 沈阳药科大学 2024-01-19 CN disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
EP-2010289-B1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA NV (BE) 2011-11-30 EP disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 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
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
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO 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 NOTUM 725/4885TRPV1 548/4885CHEK1 3918/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP NOTUM 725/4885TRPV1 548/4885CHEK1 3918/4885
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA NOTUM 2730/4885TRPV1 391/4885CHEK1 3411/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP NOTUM 725/4885TRPV1 548/4885CHEK1 3918/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD NOTUM 534/4885TRPV1 733/4885CHEK1 4053/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NOTUM 1370/4885TRPV1 365/4885CHEK1 3321/4885

“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.