SCHEMBL6475573

SCHEMBL6475573

CC(Oc1ccc(-c2ccc(CNC(=O)c3scnc3OC3=COC(Cc4ccccc4)O3)cc2)c(F)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KLKB1 P03952 2/20 0.36
IDE P14735 1/20 0.36
P2RX7 Q99572 2/20 0.36
FAAH O00519 1/20 0.35
BACE1 P56817 2/20 0.34
GSK3B P49841 2/20 0.33
CDK2 P24941 1/20 0.33
S1PR3 Q99500 1/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL7226091 0.92 P2RX7 (0.39) KLKB1P2RX7GSK3BPPARG
SCHEMBL6486884 0.90 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL5607488 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DIDE
SCHEMBL6475568 0.79 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL6474731 0.79 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL6475115 0.79 P2RX7 (0.37) KLKB1P2RX7POLB
SCHEMBL6475767 0.78 P2RX7 (0.39) KLKB1P2RX7PPARG
SCHEMBL6475756 0.76 EPHX2 (0.39) KLKB1P2RX7PPARG
SCHEMBL5384630 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL5384621 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D

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-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 PDE4A 4/4885PDE4B 7/4885PDE4C 23/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4C 22/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B PDE4A 2/4885PDE4B 4/4885PDE4C 14/4885

“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.