SCHEMBL6475847

SCHEMBL6475847

NC(=O)c1ccc(-c2ccc(CNC(=O)c3scnc3OC3=COC(Cc4ccccc4)O3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.38
HSD17B13 Q7Z5P4 3/20 0.36
GSK3B P49841 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
PPARG P37231 2/20 0.32
CHRM4 P08173 1/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
EGFR P00533 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL6477131 0.91 PPARD (0.38) KLKB1HSD17B13PPARGP2RX7
SCHEMBL6475756 0.90 EPHX2 (0.39) KLKB1HSD17B13PPARGCHRM4P2RX7
SCHEMBL6486745 0.84 EPHX2 (0.35) HSD17B13PPARGCHRM4P2RX7PDE4A
SCHEMBL6482838 0.84 EPHX2 (0.35) HSD17B13PPARGCHRM4P2RX7PDE4A
SCHEMBL6486884 0.83 PDE4A (0.46) HSD17B13CHRM4P2RX7PDE4APDE4B
SCHEMBL6475255 0.83 HPGD (0.40) HSD17B13PPARGP2RX7
SCHEMBL6476446 0.82 ALDH1A1 (0.34) KLKB1HSD17B13P2RX7TP53
SCHEMBL6474731 0.79 PDE4A (0.36) HSD17B13CHRM4P2RX7PDE4APDE4B
SCHEMBL7226091 0.76 P2RX7 (0.39) KLKB1GSK3BPPARGCHRM4P2RX7
SCHEMBL6475573 0.76 PDE4A (0.36) KLKB1GSK3BPPARGP2RX7EGFR

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 9 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
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 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 (3 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 KLKB1 4118/4885HSD17B13 279/4885GSK3B 2334/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A KLKB1 3019/4885HSD17B13 335/4885GSK3B 3194/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B KLKB1 4032/4885HSD17B13 497/4885GSK3B 3906/4885

“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.