SCHEMBL1014223

SCHEMBL1014223

CCOC(=O)/C(=C\N(C)C)C(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
NPSR1 Q6W5P4 4/20 0.44
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
IDE P14735 1/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35

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
SCHEMBL1014224 1.00 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18134660 0.86 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3230226 0.85 CYP2C9 (0.58) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL961668 0.84 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL12947626 0.84 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1406284 0.84 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL961667 0.84 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18134656 0.83 CYP2C9 (0.44) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3594318 0.81 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL21975389 0.81 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
CN-101668524-B Pyrazole derivatives as 11-beta-HSD 1 inhibitors ASTRAZENECA AB 2012-10-24 CN disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
CN-101668524-A Pyrazole derivatives as 11-beta-HSD 1 inhibitors ASTRAZENECA AB 2010-03-10 CN disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080349-A1 PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-09-01 WO disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 CYP2C9 32/4885NPSR1 713/4885GLO1 3277/4885
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CYP2C9 58/4885NPSR1 1407/4885GLO1 1137/4885
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CYP2C9 729/4885NPSR1 127/4885GLO1 4637/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 CYP2C9 58/4885NPSR1 1407/4885GLO1 1137/4885

“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.