SCHEMBL5255309

SCHEMBL5255309

CC(C)(C)OC(=O)N1CCCC(CC2CC(=O)N(O)C2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
GLS O94925 2/20 0.44
FEN1 P39748 2/20 0.43
ACKR3 P25106 1/20 0.43
HTR6 P50406 4/20 0.42
ALOX5AP P20292 1/20 0.41
KDM1A O60341 1/20 0.41
SCN9A Q15858 1/20 0.41
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.39
BCHE P06276 2/20 0.39
BRD4 O60885 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL5254909 1.00 BACE1 (0.45) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL5258124 0.85 KDM4E (0.46) MAPTHPGDFPR2
SCHEMBL5254911 0.76 MAPT (0.52) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL5075331 0.76 BACE1 (0.46) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL344915 0.76 NR1H2 (0.59) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL9974300 0.76 MEN1 (0.56) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL344916 0.76 NR1H2 (0.59) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL12125486 0.76 MEN1 (0.56) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL13059808 0.76 MEN1 (0.56) BACE1CTSDMEN1ALDH1A1MAPT
SCHEMBL1785894 0.76 NR1H2 (0.59) BACE1CTSDMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
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
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 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

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 BACE1 4513/4885CTSD 3233/4885MEN1 3388/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 BACE1 4484/4885CTSD 2754/4885MEN1 3032/4885

“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.