Sugi Predict

Sugi Predict / Compounds / SCHEMBL2215153

SCHEMBL2215153

SCHEMBL2215153

CCNC(=O)c1cc(F)c(C)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ BRD4 O60885 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ PDK2 Q15119 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CXCR2 P25025 4/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ UCHL1 P09936 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL20460581 0.88 HDAC6 (0.39) HDAC6HDAC1HDAC4CA1CA2
SCHEMBL20460388 0.85 RAB9A (0.43) HDAC6HDAC1CA1CA2CA9
SCHEMBL2073734 0.84 MAPK14 (0.50) HDAC6HDAC4CYP2C9MAPK14
SCHEMBL22967181 0.84 PTGS1 (0.40) HDAC6HDAC1PTGS1PTGS2BRD4
SCHEMBL22967164 0.83 CXCR2 (0.41) HDAC6HDAC1PTGS1PTGS2BRD4
SCHEMBL14077637 0.81 HDAC1 (0.37) HDAC6HDAC1CXCR2UCHL1
SCHEMBL20448590 0.81 HDAC1 (0.37) HDAC6HDAC1CA1CA2CA9
SCHEMBL601557 0.81 UCHL1 (0.44) HDAC6HDAC4CA1CA2CA9
SCHEMBL4225195 0.80 KDM4E (0.39) HDAC6HDAC1PDK2CA1CA2
SCHEMBL1233356 0.80 MAPK14 (0.46) PTGS1PTGS2CYP2C9MAPK14

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 — — EP disclosed
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 — — EP disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 — — US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 — — US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 — — US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 — — US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 — — US disclosed
EP-1745038-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-24 — — EP disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — WO disclosed
WO-2005073219-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — 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 (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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 HDAC6 297/4885HDAC1 352/4885PTGS1 308/4885
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis CNKSR1, MAPK1, MAPK7 HDAC6 362/4885HDAC1 217/4885PTGS1 141/4885
US-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 HDAC6 515/4885HDAC1 413/4885PTGS1 85/4885

“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.