SCHEMBL5451143

SCHEMBL5451143

CC(C)(C)OC(=O)NCCC[NH]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
EPHX1 P07099 1/20 0.49
HTT P42858 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
IDO1 P14902 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10431136 0.94 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10558402 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10431367 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4700665 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10556286 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL426249 0.88 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.87 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.87 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.85 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL136815 0.85 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP claimed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF TDP1 2222/4885MEN1 3388/4885GAA 4162/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TDP1 1869/4885MEN1 3032/4885GAA 4203/4885

“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.