SCHEMBL6476446

SCHEMBL6476446

O=C(NCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1F)c1scnc1OC1=COC(Cc2ccccc2)O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TP53 P04637 1/20 0.33
HSD17B13 Q7Z5P4 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 2/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
KCNA5 P22460 1/20 0.32
GAA P10253 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
SCHEMBL6475756 0.85 EPHX2 (0.39) ALDH1A1HSD17B13P2RX7KLKB1KCNA5
SCHEMBL6475255 0.84 HPGD (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL6486745 0.83 EPHX2 (0.35) HSD17B13P2RX7
SCHEMBL6482838 0.82 EPHX2 (0.35) ALDH1A1HSD17B13P2RX7
SCHEMBL6475847 0.82 KLKB1 (0.38) TP53HSD17B13P2RX7KLKB1
SCHEMBL6477131 0.81 PPARD (0.38) HSD17B13POLBP2RX7KLKB1
SCHEMBL6486884 0.81 PDE4A (0.46) HSD17B13HTTP2RX7KMT2AKCNA5
SCHEMBL6476442 0.78 PKM (0.47) ALDH1A1TP53KMT2A
SCHEMBL6475767 0.75 P2RX7 (0.39) HTTP2RX7KMT2AKLKB1
SCHEMBL5362653 0.73 MAPK8 (0.45)

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 ALDH1A1 528/4885HDAC4 258/4885HDAC1 192/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A ALDH1A1 434/4885HDAC4 262/4885HDAC1 195/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B ALDH1A1 980/4885HDAC4 314/4885HDAC1 295/4885

“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.