SCHEMBL6295533

SCHEMBL6295533

CC(C)(C)OC(=O)NN1CCCC1C=NO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CTSK P43235 4/20 0.35
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.33
EPHX1 P07099 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL9128673 0.84 CA1 (0.39) CA1CA2CTSKBTKGAA
SCHEMBL27731572 0.80 EPHX1 (0.40) CA1CA2CTSKBTKGAA
SCHEMBL2893906 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL2893902 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL17063892 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL4561004 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL8228626 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL2893904 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL14368609 0.75 HSD17B10 (0.46) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL29689842 0.75 CTSK (0.41) CA1CA2CTSKBTKGAA

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
US-6903128-B2 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC (US) 2005-06-07 US disclosed
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2004-05-27 US disclosed
US-6668527-B2 Antiinflamamtory agents; autoimmune disease PFIZER INC. 2003-12-30 US disclosed
US-6667331-B2 For example 3-(2-(1-(2-(3-Methoxy-4-(3-o-tolyl-ureido)-phenyl)-acetylamino )-3-methyl-butyl)-4,5-dihydro-oxazol-5-yl)-2-methyl-propionic acid PFIZER INC 2003-12-23 US disclosed
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-05-29 US disclosed
US-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-01-02 US disclosed
EP-1244656-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2002-10-02 EP disclosed
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC. 2002-04-25 US disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 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 (4 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-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, CCR10 CA1 1227/4885CA2 1325/4885CTSK 851/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 CA1 1097/4885CA2 1216/4885CTSK 873/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG CA1 1404/4885CA2 1572/4885CTSK 774/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG CA1 2527/4885CA2 2490/4885CTSK 2514/4885

“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.