SCHEMBL6477131

SCHEMBL6477131

O=C(O)c1cccc(-c2ccc(CNC(=O)c3scnc3OC3=COC(Cc4ccccc4)O3)c(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EPHX2 P34913 3/20 0.37
HSD17B13 Q7Z5P4 2/20 0.35
NR1H4 Q96RI1 3/20 0.34
KLKB1 P03952 2/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
SLC2A1 P11166 1/20 0.33
PTGER1 P34995 1/20 0.33
PLAU P00749 1/20 0.33
ALDH2 P05091 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CFD P00746 1/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.31
SENP1 Q9P0U3 1/20 0.31

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
SCHEMBL6475756 0.93 EPHX2 (0.39) PPARGEPHX2HSD17B13NR1H4KLKB1
SCHEMBL6475847 0.91 KLKB1 (0.38) PPARGHSD17B13KLKB1P2RX7
SCHEMBL6486745 0.84 EPHX2 (0.35) PPARDPPARAPPARGEPHX2HSD17B13
SCHEMBL6482838 0.83 EPHX2 (0.35) PPARDPPARAPPARGEPHX2HSD17B13
SCHEMBL6486884 0.83 PDE4A (0.46) HSD17B13PLAUP2RX7
SCHEMBL6475255 0.83 HPGD (0.40) PPARGHSD17B13P2RX7
SCHEMBL6476446 0.81 ALDH1A1 (0.34) HSD17B13KLKB1P2RX7POLB
SCHEMBL6477125 0.77 PDE4A (0.51) PPARDPPARAPPARGEPHX2HSD17B13
SCHEMBL6475767 0.75 P2RX7 (0.39) PPARDPPARAPPARGKLKB1P2RX7
SCHEMBL7226091 0.74 P2RX7 (0.39) PPARAPPARGEPHX2KLKB1P2RX7

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
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US claimed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US claimed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US claimed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 PPARD 1253/4885PPARA 1342/4885PPARG 892/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B PPARD 1783/4885PPARA 1933/4885PPARG 1115/4885

“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.