SCHEMBL6296540

SCHEMBL6296540

CC(C)CC(/C=N\O)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.57
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL6296542 1.00 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL7260243 1.00 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL7260242 1.00 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL16564868 0.84 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL7433177 0.84 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL6786634 0.84 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL6829984 0.82 CA1 (0.51) CTSKCA1CA2CA7CTSL
SCHEMBL9644705 0.82 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL739719 0.82 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL1781832 0.82 CTSK (0.62) CTSKCA1CA2CA7CTSL

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 7 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
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

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 CTSK 851/4885CA1 1227/4885CA2 1325/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 CTSK 873/4885CA1 1097/4885CA2 1216/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG CTSK 774/4885CA1 1404/4885CA2 1572/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG CTSK 2514/4885CA1 2527/4885CA2 2490/4885

“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.